Motion in Hemoglobin (Hb) [hb]

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Classification Known Subunit Motion, Involving Allostery [S-a-2]

Structures 1HHO Conformation 3 [ PartsList ] 2HCO Conformation 2 [ PartsList ] 4HHB Conformation 1 [ PartsList ]

Description Hemoglobin is a tetramer containing 2 copies of 2 (slightly) different subunits (alpha and beta). When oxygen binds to the deoxy form (the T-state), the heme ring slightly flattens. This causes one helix (EF turn, F helix, FG turn) to move, and this, in turn, destabilizes salt bridges between this helix and a helix on another subunit. A new inter-subunit salt bridge configuration is formed (with in total fewer bridges). This switch of configurations at the subunit interface causes one pair of subunits (e.g. alpha-1 and beta-1) to rotate 15 degrees and translate 0.8 A relative to the other pair (producing the high-affinity R-state). This in, in turn, affects the interactions about the heme in other subunits, giving rise to cooperative oxygen binding.

Particular values describing motion Experimental Methods = x (Traditional x-ray) Creation Date = 19970822 Modification Date = 19970822

References G Fermi, M F Perutz, B Shaanan and R Fourme (1984). the crystal structure of human deoxyhaemoglobin at1.74 Å resolution. J. Mol. Biol. 175: 159-174. [Medline info for 6161375] L Stryer (1995). Biochemistry. New York, W H Freeman and Company. [Medline info for 6161375] J Baldwin and C Chothia (1979). Haemoglobin. The structural changes related to ligand binding and its allosteric mechanism. J. Mol. Biol. 129: 175-220. [Medline info for 6161375] M Perutz (1978). Hemoglobin structure and respiratory transport. Sci. Am. 239: 92-125. [Medline info for 6161375] M F Perutz (1989). Mechanisms of cooperativity and allosteric regulation in proteins. Quart. Rev. Biophys. 22: 139-237. [Medline info for 6161375]

Data and Graphics Graphic-1 General figure of the folding topology in the globins. (This is actually myoglobin. Hemoglobin does not have the D helix!)

GO terms associated with structures Molecular function oxygen binding, binding Cellular component hemoglobin complex Biological process transport, oxygen transport

Morphs

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Best representative Morph Morph name Structure #1 Structure #2 Residues Hemoglobin 4hhb [ ] 2hco [ ] 141

User-submitted morphs Morph Morph name Structure #1 Structure #2 Residues 048584-32156 Bar-Headed Goose Hem 1hv4 [ A ] 1a4f [ A ] 141 267503-14938 haem 4hhb [ A ] 3hhb [ A ] 141 00995-20863 Hemoglobin 1cg5 [ A ] 1cg8 [ A ] 141 18426-5566 hemoglobin 1bz0 [ A ] 1bbb [ A ] 141 46478-4738 Hemoglobin 3sdh [ A ] 1eca [ A ] 136 63547-10360 Hemoglobin 3sdh [ A ] 4sdh [ A ] 146 81190-12316 Hemoglobin 4hhb [ ] 1mbd [ ] 153 96757-5629 hemoglobin upload [ A ] upload [ A ] 141 664177-12633 hemoglobin 4hhb [ A ] 2hco [ A ] 141 782200-30954 Hemoglobin 4hhb [ A ] 2hco [ A ] 141 839225-29721 Hemoglobin 4hhb [ A ] 1mbd [ B ] 153 659431-29224 Hemoglobin 1hho [ A ] 2hco [ A ] 141 383637-25500 Hemoglobin 3hhb [ A ] 3hhb [ B ] 287 383894-25572 hemoglobin 3hhb [ A ] 2mm1 [ A ] 153 383949-25712 hemoglobin 3hhb [ B ] 2mm1 [ A ] 153 421987-19178 Hemoglobin 2hhb [ A ] 1hho [ A ] 141 749378-1153 hemoglobin upload [ A ] upload [ A ] 140 988522-7443 hemoglobin 1hho [ A ] 2hco [ A ] 141 091384-10799 Hemoglobin 1b86 [ A ] 1hho [ A ] 141 367374-30818 Hemoglobin 1cbl [ A ] 1cbm [ A ] 146 074038-14872 Hemoglobin 4hhb [ A ] 2hco [ A ] 141 379347-12020 Hemoglobin 4hhb [ A ] 1hho [ A ] 141 383079-15472 Hemoglobin 4hhb [ A ] 1hho [ A ] 141 383513-15681 Hemoglobin 4hhb [ A ] 1hho [ A ] 141 504876-16994 Hemoglobin 2hhb [ A ] 1hho [ A ] 141 504974-17078 Hemoglobin 2hhb [ A ] 1hho [ A ] 141 505001-17114 Hemoglobin 4hhb [ A ] 1hho [ A ] 141 505039-17151 Hemoglobin 4hhb [ A ] 1hho [ A ] 141 071125-23969 HEMOGLOBIN 1a3n [ A ] 1gzx [ A ] 141 022954-1568 Hemoglobin upload [ A ] upload [ A ] 141 883055-29101 hemoglobin - normal to sickle cell 2hhb [ A ] 2hbs [ A ] 141 99596-16714 Hemoglobin From D 1cg5 [ A ] 1cg8 [ A ] 141 096519-3152 hemoglobins upload [ A ] upload [ A ] 141 42379-24608 myoglobin --> hemoglobin 1abs [ A ] 1ash [ A ] 150 61489-25756 Myoglobin --> Hemoglobin 1mbd [ A ] 1ecd [ A ] 136 07920-9678 Test 4hhb [ A ] 1mbd [ B ] 153 15872-22839 Via_align 4hhb [ A ] 4hhb [ B ] 287 30687-10345 Via_align 4hhb [ A ] 1mbd [ A ] 153 33467-1688 Via_align 4hhb [ A ] 1mbd [ A ] 153 59860-26301 Via_align 4hhb [ A ] 1mbd [ A ] 153 682113-19427 Via_align 1mbd [ A ] 4hhb [ A ] 141

Automatic morphs Morph Morph name Structure #1 Structure #2 Residues va1aj9A-1bijA Carboxyhemoglobin 1aj9 [ A ] 1bij [ A ] 141 va1gliA-1abyA Deoxyhemoglobin 1gli [ A ] 1aby [ A ] 283 va1gliC-1abyA Deoxyhemoglobin 1gli [ C ] 1aby [ A ] 283 va1c7cA-1gliA Deoxyhemoglobin (Alpha Chain) 1c7c [ A ] 1gli [ A ] 141 va1c7cA-1gliC Deoxyhemoglobin (Alpha Chain) 1c7c [ A ] 1gli [ C ] 141 va1c7dA-1gliC Deoxyhemoglobin (Alpha Chain) 1c7d [ A ] 1gli [ C ] 141 va1c7dA-1gliA Deoxyhemoglobin (Alpha Chain) 1c7d [ A ] 1gli [ A ] 141 va1c7bC-1bijA Deoxyhemoglobin (Alpha Chain) 1c7b [ C ] 1bij [ A ] 141 va1c7dA-1abyA Deoxyhemoglobin (Alpha Chain) 1c7d [ A ] 1aby [ A ] 283 va1c7cA-1abyA Deoxyhemoglobin (Alpha Chain) 1c7c [ A ] 1aby [ A ] 283 va1c7bA-1bijA Deoxyhemoglobin (Alpha Chain) 1c7b [ A ] 1bij [ A ] 141 va1axfA-1bijA Deshis Deoxyhemoglobin A 1axf [ A ] 1bij [ A ] 141 va1axfC-1bijA Deshis Deoxyhemoglobin A 1axf [ C ] 1bij [ A ] 141 va1buwC-1bijA Hemoglobin 1buw [ C ] 1bij [ A ] 141 va1buwA-1bijA Hemoglobin 1buw [ A ] 1bij [ A ] 141 va1b86C-1bijA Hemoglobin 1b86 [ C ] 1bij [ A ] 141 va1rvwA-1bijA Hemoglobin 1rvw [ A ] 1bij [ A ] 141 va1clsC-1bijA Hemoglobin 1cls [ C ] 1bij [ A ] 141 va1b86A-1bijA Hemoglobin 1b86 [ A ] 1bij [ A ] 141 va1clsA-1bijA Hemoglobin 1cls [ A ] 1bij [ A ] 141 va1vwtC-1bijA Hemoglobin 1vwt [ C ] 1bij [ A ] 141 va1hcoA-1bijA Hemoglobin (Carbonmonoxy) - Ch 1hco [ A ] 1bij [ A ] 141 va2hhbA-1bijA Hemoglobin (Deoxy) - Chain A 2hhb [ A ] 1bij [ A ] 141 va2hhbC-1bijA Hemoglobin (Deoxy) - Chain C 2hhb [ C ] 1bij [ A ] 141 va1dxtA-1bijA Hemoglobin (Deoxy) Mutant With 1dxt [ A ] 1bij [ A ] 141 va1dxuA-1bijA Hemoglobin (Deoxy) Mutant With 1dxu [ A ] 1bij [ A ] 141 va1dxtC-1bijA Hemoglobin (Deoxy) Mutant With 1dxt [ C ] 1bij [ A ] 141 va1dxvC-1bijA Hemoglobin (Deoxy) Mutant With 1dxv [ C ] 1bij [ A ] 141 va1dxuC-1bijA Hemoglobin (Deoxy) Mutant With 1dxu [ C ] 1bij [ A ] 141 va1fdhA-1bijA Hemoglobin (Deoxy, Human Fetal 1fdh [ A ] 1bij [ A ] 141 va1hgcA-1bijA Hemoglobin (T State, Alpha-Oxy 1hgc [ A ] 1bij [ A ] 141 va1hgcC-1bijA Hemoglobin (T State, Alpha-Oxy 1hgc [ C ] 1bij [ A ] 141 va1hgbC-1bijA Hemoglobin (T State, Aquomet) 1hgb [ C ] 1bij [ A ] 141 va1hgbA-1bijA Hemoglobin (T State, Aquomet) 1hgb [ A ] 1bij [ A ] 141 va1hgaA-1bijA Hemoglobin (T State, Deoxygena 1hga [ A ] 1bij [ A ] 141 va1hgaC-1bijA Hemoglobin (T State, Deoxygena 1hga [ C ] 1bij [ A ] 141 va1bijA-1a9wA Hemoglobin A 1bij [ A ] 1a9w [ A ] 141 va1bijA-1sdlA Hemoglobin A 1bij [ A ] 1sdl [ A ] 141 va1bijA-1hacC Hemoglobin A 1bij [ A ] 1hac [ C ] 141 va1bijA-1a9wC Hemoglobin A 1bij [ A ] 1a9w [ C ] 141 va1bijA-2hbcA Hemoglobin A 1bij [ A ] 2hbc [ A ] 141 va1bijA-2hbdA Hemoglobin A 1bij [ A ] 2hbd [ A ] 141 va1bijA-1habA Hemoglobin A 1bij [ A ] 1hab [ A ] 141 va1bijA-2hcoA Hemoglobin A 1bij [ A ] 2hco [ A ] 141 va1bijA-1hacA Hemoglobin A 1bij [ A ] 1hac [ A ] 141 va1bijA-1a0vA Hemoglobin A 1bij [ A ] 1a0v [ A ] 141 va1bijA-1hbaA Hemoglobin A 1bij [ A ] 1hba [ A ] 141 va1bijA-1nihC Hemoglobin A 1bij [ A ] 1nih [ C ] 141 va1bijA-1hbbA Hemoglobin A 1bij [ A ] 1hbb [ A ] 141 va1bijA-1hbbC Hemoglobin A 1bij [ A ] 1hbb [ C ] 141 va1bijA-1hbaC Hemoglobin A 1bij [ A ] 1hba [ C ] 141 va1bijA-1a0xA Hemoglobin A 1bij [ A ] 1a0x [ A ] 141 va1bijA-1dshC Hemoglobin A 1bij [ A ] 1dsh [ C ] 140 va1bijA-1g9vA Hemoglobin A 1bij [ A ] 1g9v [ A ] 141 va1bijA-2hheC Hemoglobin A 1bij [ A ] 2hhe [ C ] 141 va1bijA-1hdbC Hemoglobin A 1bij [ A ] 1hdb [ C ] 141 va1bijA-1dxvA Hemoglobin A 1bij [ A ] 1dxv [ A ] 141 va1bijA-1a01A Hemoglobin A 1bij [ A ] 1a01 [ A ] 141 va1bijA-1a3nA Hemoglobin A 1bij [ A ] 1a3n [ A ] 141 va1bijA-3hhbA Hemoglobin A 1bij [ A ] 3hhb [ A ] 141 va1bijA-2hhdA Hemoglobin A 1bij [ A ] 2hhd [ A ] 141 va1bijA-1g9vC Hemoglobin A 1bij [ A ] 1g9v [ C ] 141 va1bijA-1gbuC Hemoglobin A 1bij [ A ] 1gbu [ C ] 141 va1bijA-1a01C Hemoglobin A 1bij [ A ] 1a01 [ C ] 141 va1bijA-2hhdC Hemoglobin A 1bij [ A ] 2hhd [ C ] 141 va1bijA-4hhbC Hemoglobin A 1bij [ A ] 4hhb [ C ] 141 va1bijA-1vwtA Hemoglobin A 1bij [ A ] 1vwt [ A ] 141 va1bijA-1a3oC Hemoglobin A 1bij [ A ] 1a3o [ C ] 141 va1bijA-1sdkC Hemoglobin A 1bij [ A ] 1sdk [ C ] 141 va1bijA-1sdlC Hemoglobin A 1bij [ A ] 1sdl [ C ] 141 va1bijA-2hbeA Hemoglobin A 1bij [ A ] 2hbe [ A ] 141 va1bijA-1sdkA Hemoglobin A 1bij [ A ] 1sdk [ A ] 141 va1bijA-2hbfA Hemoglobin A 1bij [ A ] 2hbf [ A ] 141 va1bijA-1habC Hemoglobin A 1bij [ A ] 1hab [ C ] 141 va1bijA-1hhoA Hemoglobin A 1bij [ A ] 1hho [ A ] 141 va1bijA-1thbA Hemoglobin A 1bij [ A ] 1thb [ A ] 141 va1bijA-1a0vC Hemoglobin A 1bij [ A ] 1a0v [ C ] 141 va1bijA-1thbC Hemoglobin A 1bij [ A ] 1thb [ C ] 141 va1bijA-1a0uA Hemoglobin A 1bij [ A ] 1a0u [ A ] 141 va1bijA-1nihA Hemoglobin A 1bij [ A ] 1nih [ A ] 141 va1bijA-1a0wA Hemoglobin A 1bij [ A ] 1a0w [ A ] 141 va1bijA-1dshA Hemoglobin A 1bij [ A ] 1dsh [ A ] 140 va1bijA-1a0wC Hemoglobin A 1bij [ A ] 1a0w [ C ] 141 va1bijA-1a0uC Hemoglobin A 1bij [ A ] 1a0u [ C ] 141 va1bijA-1a0yA Hemoglobin A 1bij [ A ] 1a0y [ A ] 141 va1bijA-1a0yC Hemoglobin A 1bij [ A ] 1a0y [ C ] 141 va1bijA-1a0xC Hemoglobin A 1bij [ A ] 1a0x [ C ] 141 va1bijA-2hbsG Hemoglobin A 1bij [ A ] 2hbs [ G ] 141 va1bijA-1gbuA Hemoglobin A 1bij [ A ] 1gbu [ A ] 141 va1bijA-4hhbA Hemoglobin A 1bij [ A ] 4hhb [ A ] 141 va1bijA-1a3nC Hemoglobin A 1bij [ A ] 1a3n [ C ] 141 va1bijA-1gbvA Hemoglobin A 1bij [ A ] 1gbv [ A ] 141 va1bijA-1hdbA Hemoglobin A 1bij [ A ] 1hdb [ A ] 141 va1bijA-1cohA Hemoglobin A 1bij [ A ] 1coh [ A ] 141 va1bijA-1a00A Hemoglobin A 1bij [ A ] 1a00 [ A ] 141 va1bijA-1gbvC Hemoglobin A 1bij [ A ] 1gbv [ C ] 141 va1bijA-1a3oA Hemoglobin A 1bij [ A ] 1a3o [ A ] 141 va1bijA-2hheA Hemoglobin A 1bij [ A ] 2hhe [ A ] 141 va1bijA-1a0zA Hemoglobin A 1bij [ A ] 1a0z [ A ] 141 va1bijA-1cohC Hemoglobin A 1bij [ A ] 1coh [ C ] 141 va1bijA-1a00C Hemoglobin A 1bij [ A ] 1a00 [ C ] 141 va1bijA-1a0zC Hemoglobin A 1bij [ A ] 1a0z [ C ] 141 va1bbbC-1bijA Hemoglobin A (R2 State, Carbon 1bbb [ C ] 1bij [ A ] 141 va1bbbA-1bijA Hemoglobin A (R2 State, Carbon 1bbb [ A ] 1bij [ A ] 141 va6hbwC-1bijA Hemoglobin Alpha 1 6hbw [ C ] 1bij [ A ] 141 va6hbwA-1bijA Hemoglobin Alpha 1 6hbw [ A ] 1bij [ A ] 141 va1irdA-1bijA Hemoglobin Alpha Chain 1ird [ A ] 1bij [ A ] 141 va1bz1A-1bijA Hemoglobin Alpha Chain 1bz1 [ A ] 1bij [ A ] 141 va1qshA-1bijA Hemoglobin Alpha Chain 1qsh [ A ] 1bij [ A ] 141 va1bzzC-1bijA Hemoglobin Alpha Chain 1bzz [ C ] 1bij [ A ] 141 va1bz0C-1bijA Hemoglobin Alpha Chain 1bz0 [ C ] 1bij [ A ] 141 va1qshC-1bijA Hemoglobin Alpha Chain 1qsh [ C ] 1bij [ A ] 141 va1k0yA-1bijA Hemoglobin Alpha Chain 1k0y [ A ] 1bij [ A ] 141 va1bz0A-1bijA Hemoglobin Alpha Chain 1bz0 [ A ] 1bij [ A ] 141 va1bzzA-1bijA Hemoglobin Alpha Chain 1bzz [ A ] 1bij [ A ] 141 va1k0yC-1bijA Hemoglobin Alpha Chain 1k0y [ C ] 1bij [ A ] 141 va1qsiA-1bijA Hemoglobin Alpha Chain 1qsi [ A ] 1bij [ A ] 141 va1bz1C-1bijA Hemoglobin Alpha Chain 1bz1 [ C ] 1bij [ A ] 141 va1qsiC-1bijA Hemoglobin Alpha Chain 1qsi [ C ] 1bij [ A ] 141 va2hbsA-1bijA Hemoglobin S 2hbs [ A ] 1bij [ A ] 141 va2hbsE-1bijA Hemoglobin S 2hbs [ E ] 1bij [ A ] 141 va2hbsC-1bijA Hemoglobin S 2hbs [ C ] 1bij [ A ] 141 va1hbsA-1bijA Hemoglobin S (Deoxy) - Chain A 1hbs [ A ] 1bij [ A ] 141 va1hbsC-1bijA Hemoglobin S (Deoxy) - Chain C 1hbs [ C ] 1bij [ A ] 141 va1hbsE-1bijA Hemoglobin S (Deoxy) - Chain E 1hbs [ E ] 1bij [ A ] 141 va1hbsG-1bijA Hemoglobin S (Deoxy) - Chain G 1hbs [ G ] 1bij [ A ] 141 va1cmyC-1bijA Hemoglobin Ypsilanti (Carbon M 1cmy [ C ] 1bij [ A ] 141 va1cmyA-1bijA Hemoglobin Ypsilanti (Carbon M 1cmy [ A ] 1bij [ A ] 141 va1dkeC-1bijA Hemoglobin: Alpha Chain 1dke [ C ] 1bij [ A ] 141 va1dkeA-1bijA Hemoglobin: Alpha Chain 1dke [ A ] 1bij [ A ] 141

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Copyright 1995-2005 M. Gerstein, W. Krebs, S. Flores, N. Echols, and others
Email: Mark.Gerstein _at_ yale.edu