UniProt Q9F8A8
Carbon Monoxide Dehydrogenase 2 (Q9F8A8)
Carbon Monoxide Dehydrogenase 2 (UniProt Q9F8A8), EC 1.2.7.4, 1.2.99.2: 47 experimental structures and 1 predicted model on GenesisL1, 13 ligands bound, 137 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9F8A8
- Protein
- Carbon Monoxide Dehydrogenase 2
- EC
- 1.2.7.4, 1.2.99.2
- Experimental structures
- 47
- Predicted models
- 1
- Ligands
- 13
- Pockets
- 137 · 28 records with a druggable one
Structures
48 records of Q9F8A8 in the MolNFT archive: 47 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1SU6 | Carbon monoxide dehydrogenase from Carboxydothermus hydrogenoformans: CO reduced state | x-ray diffraction | A | SF4, FES, NFS | 6 (best 0.63) |
| 1SU6 | Carbon monoxide dehydrogenase from carboxydothermus hydrogenoformans: co reduced state | x-ray diffraction | A | — | — |
| 1SU7 | Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans- DTT reduced state | x-ray diffraction | A | SF4, FES, NFS | 5 (best 0.58) |
| 1SU7 | Carbon monoxide dehydrogenase from carboxydothermus hydrogenoformans- dtt reduced state | x-ray diffraction | A | — | — |
| 1SU8 | Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase | x-ray diffraction | A | SF4, FES, NFS | 4 (best 0.57) |
| 1SU8 | Carbon monoxide induced decomposition of the active site [ni-4FE-5S] cluster of co dehydrogenase | x-ray diffraction | A | — | — |
| 1SUF | Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans-Inactive state | x-ray diffraction | A | SF4, FES, NFS | 6 (best 0.72) |
| 1SUF | Carbon monoxide dehydrogenase from carboxydothermus hydrogenoformans- inactive state | x-ray diffraction | A | — | — |
| 2YIV | NI,FE-CODH with n-butylisocyanate state | x-ray diffraction | X | — | — |
| 2YIV | NI,FE-codh with N-butylisocyanate state | x-ray diffraction | X | — | — |
| 3B51 | Ni,Fe-CODH-600 mV state | x-ray diffraction | X | — | — |
| 3B51 | NI,FE-codh-600 mv state | x-ray diffraction | X | — | — |
| 3B52 | Ni,Fe-CODH-600 mV state + CO2 | x-ray diffraction | X | — | — |
| 3B52 | NI,FE-codh-600 mv state + CO2 | x-ray diffraction | X | — | — |
| 3B53 | Ni,Fe-CODH-320 mV state | x-ray diffraction | X | — | — |
| 3B53 | NI,FE-codh-320 mv state | x-ray diffraction | X | — | — |
| 3I39 | NI,FE-CODH-320 MV+CN state | x-ray diffraction | X | — | — |
| 3I39 | NI,FE-codh-320 MV+CN state | x-ray diffraction | X | — | — |
| 4UDX | CO2 bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution | x-ray diffraction | X | — | — |
| 4UDX | CO2 bound to cluster C of NI,FE-co dehydrogenase at true-atomic resolution | x-ray diffraction | X | — | — |
| 4UDY | NCO- bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution | x-ray diffraction | X | — | — |
| 4UDY | Nco- bound to cluster C of NI,FE-co dehydrogenase at true-atomic resolution | x-ray diffraction | X | — | — |
| 5FLE | High resolution NI,FE-CODH-320 mV with CN state | x-ray diffraction | X | SF4, FES, 82N, FE2 | 6 (best 0.69) |
| 5FLE | High resolution NI,FE-codh-320 mv with cn state | x-ray diffraction | X | — | — |
| 7ERR | Tunnel-redesigned O2-tolerant CO dehydrogenase for removal of CO in real flue gas (Aerobic ChCODH2… | x-ray diffraction | A | SF4, FES, NFS | 5 (best 0.72) |
| 7XDM | ChCODH2 A559W mutant in anaerobic condition | x-ray diffraction | A | SF4, FES, NFS | 5 (best 0.68) |
| 7XDN | Tunnel-redesigned O2-tolerant CO dehydrogenase for removal of CO in real flue gas (ChCODH2 A559H… | x-ray diffraction | A | SF4, FES, NFS | 4 (best 0.63) |
| 7XDP | Tunnel-redesigned O2-tolerant CO dehydrogenase for removal of CO in real flue gas (ChCODH2 A559S… | x-ray diffraction | A | SF4, FES, NFS | 4 (best 0.69) |
| 7ZX3 | C295D Mutant of Recombinant CODH-II | x-ray diffraction | X | SF4, FES, SO4 | 4 (best 0.70) |
| 7ZX5 | I567T Mutant of Recombinant CODH-II | x-ray diffraction | X | SF4, FES, WCC, FE2 | 6 (best 0.69) |
| 7ZX6 | I567L Mutant of Recombinant CODH-II | x-ray diffraction | X | SF4, FES, WCC, FE2 | 6 (best 0.70) |
| 7ZXC | H96D Mutant of Recombinant CODH-II | x-ray diffraction | X | SF4, FES, WCC, FE | 4 (best 0.62) |
| 7ZXJ | K563A Mutant of Recombinant CODH-II | x-ray diffraction | X | SF4, FES, WCC, FE2 | 3 (best 0.59) |
| 7ZXL | H93A Mutant of Recombinant CODH-II | x-ray diffraction | X | SF4, FES, WCC, FE2, SO4 | 3 (best 0.68) |
| 7ZXX | K563H Mutant of Recombinant CODH-II | x-ray diffraction | X | SF4, FES, SO4 | 4 (best 0.69) |
| 7ZY1 | I567A Mutant of Recombinant CODH-II | x-ray diffraction | X | SF4, FES, WCC, FE2 | 6 (best 0.78) |
| 8OMX | NI,FE-CODH -600mV state : 1 min Dioxygen Exposure | x-ray diffraction | X | SF4, FES, NFS, FE2, H2S | 5 (best 0.69) |
| 8OMY | NI,FE-CODH -600mV state : 35 min Dioxygen Exposure | x-ray diffraction | X | SF4, FES, FE2, H2S, FE | 5 (best 0.69) |
| 8ON0 | NI,FE-CODH -600mV state : 90 min Dioxygen Exposure | x-ray diffraction | X | SF4, FES, FE2, FE, H2S | 5 (best 0.73) |
| 8ON1 | NI,FE-CODH -600mV state : 4 h Dioxygen Exposure | x-ray diffraction | X | SF4, FES, FE, FE2 | 5 (best 0.69) |
| 8ON2 | NI,FE-CODH -600mV state : 24 h Dioxygen Exposure | x-ray diffraction | X | SF4, FES, FE | 5 (best 0.62) |
| 8ON3 | NI,FE-CODH -320mV + CN state : 24 h Dioxygen Exposure | x-ray diffraction | X | SF4, FES, VV2, FE2, FE | 5 (best 0.63) |
| 8X9D | Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high… | x-ray diffraction | A | SF4, FES, XCC, FE | 4 (best 0.61) |
| 8X9E | Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low… | x-ray diffraction | A | SF4, FES, XCC, FE | 5 (best 0.62) |
| 8X9F | Crystal structure of CO dehydrogenase mutant in complex with EV | x-ray diffraction | A | SF4, FES, XCC, S8I | 7 (best 0.72) |
| 8X9G | Crystal structure of CO dehydrogenase mutant in complex with BV | x-ray diffraction | A | SF4, FES, XCC, S7L | 7 (best 0.79) |
| 8X9H | Crystal structure of CO dehydrogenase mutant (F41C) | x-ray diffraction | A | SF4, FES, XCC, FE | 3 (best 0.61) |
| Q9F8A8 | AlphaFold monomer V2.0 prediction for carbon monoxide dehydrogenase 2 (Q9F8A8) | predicted | A | — | — |
Ligands
- FES · Fe2/s2 (inorganic) cluster · in 28 records
- SF4 · Iron/sulfur cluster · in 28 records
- FE2 · Fe (II) ion · in 11 records
- FE · Fe (III) ion · in 9 records
- NFS · FE(4)-NI(1)-S(5) cluster · in 9 records
- WCC · FE(3)-NI(1)-S(4) cluster · in 6 records
- XCC · FE(4)-NI(1)-S(4) cluster · in 5 records
- H2S · Hydrosulfuric acid · in 3 records
- SO4 · Sulfate ion · in 3 records
- 82N · Nickel iron clsuter with cyanide bound · in 1 record
- S7L · 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium · in 1 record
- S8I · 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium · in 1 record
- VV2 · Fe-S cluster · in 1 record
Experiment against prediction
- 2YIV chain X against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.20 Å
- 2YIV chain X against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.20 Å
- 4UDY chain X against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.20 Å
- 4UDY chain X against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.20 Å
- 4UDX chain X against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.20 Å
- 4UDX chain X against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.20 Å
- 7ZX6 chain X against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.22 Å
- 1SUF chain A against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.22 Å
- 1SUF chain A against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.22 Å
- 7ZX3 chain X against the predicted model Q9F8A8: TM-score 1.00, RMSD 0.22 Å
Elsewhere
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