3MYR
Crystal structure of [NiFe] hydrogenase from Allochromatium vinosum in its Ni-A state
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| A | 0009375 | cellular_component | ferredoxin hydrogenase complex |
| A | 0051536 | molecular_function | iron-sulfur cluster binding |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| B | 0016151 | molecular_function | nickel cation binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| C | 0009375 | cellular_component | ferredoxin hydrogenase complex |
| C | 0051536 | molecular_function | iron-sulfur cluster binding |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| D | 0016151 | molecular_function | nickel cation binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| E | 0009375 | cellular_component | ferredoxin hydrogenase complex |
| E | 0051536 | molecular_function | iron-sulfur cluster binding |
| F | 0005886 | cellular_component | plasma membrane |
| F | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| F | 0016151 | molecular_function | nickel cation binding |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0046872 | molecular_function | metal ion binding |
| G | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| G | 0009375 | cellular_component | ferredoxin hydrogenase complex |
| G | 0051536 | molecular_function | iron-sulfur cluster binding |
| H | 0005886 | cellular_component | plasma membrane |
| H | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| H | 0016151 | molecular_function | nickel cation binding |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SF4 A 2001 |
| Chain | Residue |
| A | GLU15 |
| A | GLY148 |
| A | CYS149 |
| A | PRO150 |
| B | ARG1059 |
| A | CYS16 |
| A | THR17 |
| A | GLY18 |
| A | CYS19 |
| A | ASP75 |
| A | GLY113 |
| A | THR114 |
| A | CYS115 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SF4 A 2002 |
| Chain | Residue |
| A | HIS187 |
| A | CYS190 |
| A | ARG192 |
| A | ARG193 |
| A | CYS215 |
| A | LEU216 |
| A | CYS221 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE F3S A 2003 |
| Chain | Residue |
| A | THR226 |
| A | ASN228 |
| A | CYS230 |
| A | TRP235 |
| A | CYS249 |
| A | LEU250 |
| A | CYS252 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE IMD A 3002 |
| Chain | Residue |
| A | VAL143 |
| A | ASN145 |
| A | GLY176 |
| A | HOH3657 |
| G | ARG139 |
| G | HOH5826 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL A 2004 |
| Chain | Residue |
| A | PRO153 |
| A | MET154 |
| A | ASN236 |
| A | ASP237 |
| A | HOH3328 |
| site_id | AC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE NFV B 2005 |
| Chain | Residue |
| B | CYS1061 |
| B | CYS1064 |
| B | VAL1067 |
| B | HIS1068 |
| B | ALA1485 |
| B | PRO1486 |
| B | ARG1487 |
| B | LEU1490 |
| B | VAL1508 |
| B | PRO1509 |
| B | SER1510 |
| B | CYS1555 |
| B | CYS1558 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 2006 |
| Chain | Residue |
| B | GLU1042 |
| B | ALA1506 |
| B | HIS1561 |
| B | HOH2007 |
| B | HOH2008 |
| B | HOH2009 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL C 2004 |
| Chain | Residue |
| C | PRO153 |
| C | MET154 |
| C | ASN236 |
| C | ASP237 |
| C | HOH3354 |
| site_id | AC9 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SF4 C 2001 |
| Chain | Residue |
| C | GLU15 |
| C | CYS16 |
| C | THR17 |
| C | GLY18 |
| C | CYS19 |
| C | ASP75 |
| C | GLY113 |
| C | THR114 |
| C | CYS115 |
| C | GLY148 |
| C | CYS149 |
| C | PRO150 |
| C | HOH5613 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 C 2002 |
| Chain | Residue |
| C | ILE186 |
| C | HIS187 |
| C | CYS190 |
| C | ARG192 |
| C | ARG193 |
| C | CYS215 |
| C | LEU216 |
| C | CYS221 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE F3S C 2003 |
| Chain | Residue |
| C | THR226 |
| C | ASN228 |
| C | CYS230 |
| C | TRP235 |
| C | PRO242 |
| C | CYS249 |
| C | LEU250 |
| C | CYS252 |
| D | LYS1211 |
| site_id | BC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE NFV D 2005 |
| Chain | Residue |
| D | LEU1490 |
| D | VAL1508 |
| D | PRO1509 |
| D | SER1510 |
| D | CYS1555 |
| D | CYS1558 |
| D | CYS1061 |
| D | CYS1064 |
| D | VAL1067 |
| D | HIS1068 |
| D | ALA1485 |
| D | PRO1486 |
| D | ARG1487 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG D 2006 |
| Chain | Residue |
| D | GLU1042 |
| D | ALA1506 |
| D | HIS1561 |
| D | HOH2007 |
| D | HOH2008 |
| D | HOH2009 |
| site_id | BC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE SF4 E 2001 |
| Chain | Residue |
| E | GLU15 |
| E | CYS16 |
| E | THR17 |
| E | GLY18 |
| E | CYS19 |
| E | ASP75 |
| E | GLY113 |
| E | THR114 |
| E | CYS115 |
| E | GLY148 |
| E | CYS149 |
| E | PRO150 |
| E | HOH5628 |
| F | ARG1059 |
| F | HIS1214 |
| site_id | BC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 E 2002 |
| Chain | Residue |
| E | ILE186 |
| E | HIS187 |
| E | CYS190 |
| E | ARG192 |
| E | ARG193 |
| E | CYS215 |
| E | LEU216 |
| E | CYS221 |
| site_id | BC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE F3S E 2003 |
| Chain | Residue |
| E | THR226 |
| E | ASN228 |
| E | CYS230 |
| E | TRP235 |
| E | PRO242 |
| E | CYS249 |
| E | LEU250 |
| E | CYS252 |
| F | LYS1211 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL E 2004 |
| Chain | Residue |
| E | PRO153 |
| E | MET154 |
| E | ASN236 |
| E | ASP237 |
| site_id | BC9 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE NFV F 2005 |
| Chain | Residue |
| F | CYS1061 |
| F | CYS1064 |
| F | VAL1067 |
| F | HIS1068 |
| F | ALA1485 |
| F | PRO1486 |
| F | ARG1487 |
| F | VAL1508 |
| F | PRO1509 |
| F | SER1510 |
| F | CYS1555 |
| F | CYS1558 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG F 2006 |
| Chain | Residue |
| F | GLU1042 |
| F | ALA1506 |
| F | HIS1561 |
| F | HOH2007 |
| F | HOH2008 |
| F | HOH2009 |
| site_id | CC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SF4 G 2001 |
| Chain | Residue |
| G | GLU15 |
| G | CYS16 |
| G | THR17 |
| G | GLY18 |
| G | CYS19 |
| G | ASP75 |
| G | GLY113 |
| G | THR114 |
| G | CYS115 |
| G | GLY148 |
| G | CYS149 |
| G | PRO150 |
| H | HIS1214 |
| site_id | CC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SF4 G 2002 |
| Chain | Residue |
| G | HIS187 |
| G | CYS190 |
| G | ARG192 |
| G | ARG193 |
| G | CYS215 |
| G | LEU216 |
| G | CYS221 |
| site_id | CC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE F3S G 2003 |
| Chain | Residue |
| G | ASN228 |
| G | CYS230 |
| G | TRP235 |
| G | TRP241 |
| G | CYS249 |
| G | LEU250 |
| G | CYS252 |
| H | LYS1211 |
| site_id | CC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL G 2004 |
| Chain | Residue |
| G | PRO153 |
| G | MET154 |
| G | ASN236 |
| G | ASP237 |
| G | HOH3053 |
| site_id | CC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE IMD G 3001 |
| Chain | Residue |
| A | ARG139 |
| A | HOH4142 |
| G | MET135 |
| G | VAL143 |
| G | ASN145 |
| G | GLY176 |
| G | HOH4119 |
| site_id | CC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE NFV H 2005 |
| Chain | Residue |
| H | CYS1061 |
| H | CYS1064 |
| H | VAL1067 |
| H | HIS1068 |
| H | ALA1485 |
| H | PRO1486 |
| H | ARG1487 |
| H | LEU1490 |
| H | VAL1508 |
| H | PRO1509 |
| H | SER1510 |
| H | CYS1555 |
| H | CYS1558 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG H 2006 |
| Chain | Residue |
| H | GLU1042 |
| H | ALA1506 |
| H | HIS1561 |
| H | HOH2007 |
| H | HOH2008 |
| H | HOH2009 |
Functional Information from PROSITE/UniProt
| site_id | PS00507 |
| Number of Residues | 26 |
| Details | NI_HGENASE_L_1 Nickel-dependent hydrogenases large subunit signature 1. RGIEtilkgrdprdawafvQRiCGVC |
| Chain | Residue | Details |
| B | ARG1039-CYS1064 |
| site_id | PS00508 |
| Number of Residues | 10 |
| Details | NI_HGENASE_L_2 Nickel-dependent hydrogenases large subunit signature 2. FDPCIACav.H |
| Chain | Residue | Details |
| B | PHE1552-HIS1561 |
