6N96
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0003824 | molecular_function | catalytic activity |
A | 0004492 | molecular_function | methyl/ethyl malonyl-CoA decarboxylase activity |
A | 0005829 | cellular_component | cytosol |
A | 0006635 | biological_process | fatty acid beta-oxidation |
A | 0016829 | molecular_function | lyase activity |
A | 0016831 | molecular_function | carboxy-lyase activity |
B | 0003824 | molecular_function | catalytic activity |
B | 0004492 | molecular_function | methyl/ethyl malonyl-CoA decarboxylase activity |
B | 0005829 | cellular_component | cytosol |
B | 0006635 | biological_process | fatty acid beta-oxidation |
B | 0016829 | molecular_function | lyase activity |
B | 0016831 | molecular_function | carboxy-lyase activity |
C | 0003824 | molecular_function | catalytic activity |
C | 0004492 | molecular_function | methyl/ethyl malonyl-CoA decarboxylase activity |
C | 0005829 | cellular_component | cytosol |
C | 0006635 | biological_process | fatty acid beta-oxidation |
C | 0016829 | molecular_function | lyase activity |
C | 0016831 | molecular_function | carboxy-lyase activity |
D | 0003824 | molecular_function | catalytic activity |
D | 0004492 | molecular_function | methyl/ethyl malonyl-CoA decarboxylase activity |
D | 0005829 | cellular_component | cytosol |
D | 0006635 | biological_process | fatty acid beta-oxidation |
D | 0016829 | molecular_function | lyase activity |
D | 0016831 | molecular_function | carboxy-lyase activity |
E | 0003824 | molecular_function | catalytic activity |
E | 0004492 | molecular_function | methyl/ethyl malonyl-CoA decarboxylase activity |
E | 0005829 | cellular_component | cytosol |
E | 0006635 | biological_process | fatty acid beta-oxidation |
E | 0016829 | molecular_function | lyase activity |
E | 0016831 | molecular_function | carboxy-lyase activity |
F | 0003824 | molecular_function | catalytic activity |
F | 0004492 | molecular_function | methyl/ethyl malonyl-CoA decarboxylase activity |
F | 0005829 | cellular_component | cytosol |
F | 0006635 | biological_process | fatty acid beta-oxidation |
F | 0016829 | molecular_function | lyase activity |
F | 0016831 | molecular_function | carboxy-lyase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 27 |
Details | binding site for residue LCV A 301 |
Chain | Residue |
A | LYS60 |
A | THR132 |
A | PRO133 |
A | LEU136 |
A | VAL138 |
A | TYR140 |
A | PHE250 |
A | LYS253 |
A | SO5302 |
A | HOH435 |
A | HOH437 |
A | ALA64 |
A | HOH450 |
A | HOH465 |
A | HOH471 |
A | HOH477 |
A | HOH501 |
A | HOH518 |
A | HOH561 |
A | HOH579 |
A | HIS66 |
A | ASP67 |
A | ILE68 |
A | HIS69 |
A | TRP108 |
A | GLY109 |
A | GLY110 |
site_id | AC2 |
Number of Residues | 28 |
Details | binding site for residue SO5 A 302 |
Chain | Residue |
A | LEU25 |
A | LYS60 |
A | ALA64 |
A | HIS66 |
A | ASP67 |
A | ILE68 |
A | HIS69 |
A | TRP108 |
A | GLY109 |
A | GLY110 |
A | THR132 |
A | PRO133 |
A | LEU136 |
A | VAL138 |
A | TYR140 |
A | PHE250 |
A | LYS253 |
A | LCV301 |
A | HOH435 |
A | HOH437 |
A | HOH450 |
A | HOH465 |
A | HOH471 |
A | HOH477 |
A | HOH501 |
A | HOH518 |
A | HOH561 |
A | HOH579 |
site_id | AC3 |
Number of Residues | 24 |
Details | binding site for residue LCV B 301 |
Chain | Residue |
B | LYS60 |
B | ALA64 |
B | HIS66 |
B | ASP67 |
B | ILE68 |
B | LEU71 |
B | TRP108 |
B | GLY109 |
B | GLY110 |
B | MET131 |
B | THR132 |
B | PRO133 |
B | LEU136 |
B | VAL138 |
B | TYR140 |
B | PHE250 |
B | LYS253 |
B | SO5302 |
B | HOH410 |
B | HOH415 |
B | HOH480 |
B | HOH486 |
B | HOH487 |
B | HOH596 |
site_id | AC4 |
Number of Residues | 22 |
Details | binding site for residue SO5 B 302 |
Chain | Residue |
B | HOH486 |
B | HOH487 |
B | LYS60 |
B | ALA64 |
B | HIS66 |
B | ASP67 |
B | ILE68 |
B | TRP108 |
B | GLY109 |
B | GLY110 |
B | MET131 |
B | THR132 |
B | PRO133 |
B | LEU136 |
B | VAL138 |
B | TYR140 |
B | PHE250 |
B | LYS253 |
B | LCV301 |
B | HOH410 |
B | HOH415 |
B | HOH480 |
site_id | AC5 |
Number of Residues | 20 |
Details | binding site for residue LCV C 301 |
Chain | Residue |
B | HOH551 |
C | LYS24 |
C | LEU25 |
C | ALA64 |
C | HIS66 |
C | ASP67 |
C | ILE68 |
C | HIS69 |
C | TRP108 |
C | GLY109 |
C | GLY110 |
C | MET131 |
C | THR132 |
C | PRO133 |
C | LEU136 |
C | TYR140 |
C | PHE250 |
C | SO5302 |
C | HOH421 |
C | HOH462 |
site_id | AC6 |
Number of Residues | 21 |
Details | binding site for residue SO5 C 302 |
Chain | Residue |
B | HOH551 |
C | LYS24 |
C | LEU25 |
C | ALA64 |
C | HIS66 |
C | ASP67 |
C | ILE68 |
C | HIS69 |
C | TRP108 |
C | GLY109 |
C | GLY110 |
C | MET131 |
C | THR132 |
C | PRO133 |
C | LEU136 |
C | VAL138 |
C | TYR140 |
C | PHE250 |
C | LCV301 |
C | HOH421 |
C | HOH462 |
site_id | AC7 |
Number of Residues | 13 |
Details | binding site for residue LCV C 303 |
Chain | Residue |
B | HIS197 |
C | SER106 |
C | VAL107 |
C | TRP108 |
C | THR128 |
C | PHE129 |
C | SER130 |
C | SER165 |
C | PRO166 |
C | HOH452 |
C | HOH461 |
C | HOH515 |
C | HOH556 |
site_id | AC8 |
Number of Residues | 22 |
Details | binding site for residue LCV D 301 |
Chain | Residue |
D | LYS60 |
D | ALA64 |
D | HIS66 |
D | ASP67 |
D | ILE68 |
D | TRP108 |
D | GLY109 |
D | GLY110 |
D | MET131 |
D | THR132 |
D | PRO133 |
D | LEU136 |
D | VAL138 |
D | TYR140 |
D | PHE250 |
D | LYS253 |
D | SO5302 |
D | HOH432 |
D | HOH438 |
D | HOH442 |
D | HOH585 |
D | HOH591 |
site_id | AC9 |
Number of Residues | 21 |
Details | binding site for residue SO5 D 302 |
Chain | Residue |
D | LYS60 |
D | ALA64 |
D | HIS66 |
D | ASP67 |
D | ILE68 |
D | TRP108 |
D | GLY109 |
D | GLY110 |
D | THR132 |
D | PRO133 |
D | LEU136 |
D | VAL138 |
D | TYR140 |
D | PHE250 |
D | LYS253 |
D | LCV301 |
D | HOH432 |
D | HOH438 |
D | HOH442 |
D | HOH585 |
D | HOH591 |
site_id | AD1 |
Number of Residues | 7 |
Details | binding site for residue IMD D 303 |
Chain | Residue |
D | VAL9 |
D | ILE11 |
D | VAL14 |
D | VAL16 |
D | LEU192 |
D | HIS196 |
D | HOH588 |
site_id | AD2 |
Number of Residues | 25 |
Details | binding site for residue LCV E 301 |
Chain | Residue |
A | LYS253 |
A | HOH440 |
A | HOH499 |
E | ALA64 |
E | HIS66 |
E | ASP67 |
E | ILE68 |
E | LEU71 |
E | GLY109 |
E | GLY110 |
E | THR132 |
E | PRO133 |
E | LEU136 |
E | VAL138 |
E | TYR140 |
E | PHE250 |
E | LYS253 |
E | SO5302 |
E | HOH403 |
E | HOH409 |
E | HOH422 |
E | HOH449 |
E | HOH455 |
E | HOH584 |
E | HOH592 |
site_id | AD3 |
Number of Residues | 24 |
Details | binding site for residue SO5 E 302 |
Chain | Residue |
A | LYS253 |
A | HOH440 |
A | HOH499 |
E | ALA64 |
E | HIS66 |
E | ASP67 |
E | ILE68 |
E | GLY109 |
E | GLY110 |
E | THR132 |
E | PRO133 |
E | LEU136 |
E | VAL138 |
E | TYR140 |
E | PHE250 |
E | LYS253 |
E | LCV301 |
E | HOH403 |
E | HOH409 |
E | HOH422 |
E | HOH449 |
E | HOH455 |
E | HOH584 |
E | HOH592 |
site_id | AD4 |
Number of Residues | 22 |
Details | binding site for residue LCV F 301 |
Chain | Residue |
F | ALA64 |
F | GLY65 |
F | HIS66 |
F | ASP67 |
F | ILE68 |
F | HIS69 |
F | TRP108 |
F | GLY109 |
F | GLY110 |
F | MET131 |
F | THR132 |
F | PRO133 |
F | LEU136 |
F | VAL138 |
F | TYR140 |
F | PHE250 |
F | LYS253 |
F | SO5302 |
F | HOH412 |
F | HOH418 |
F | HOH420 |
F | HOH577 |
site_id | AD5 |
Number of Residues | 20 |
Details | binding site for residue SO5 F 302 |
Chain | Residue |
F | ALA64 |
F | HIS66 |
F | ASP67 |
F | ILE68 |
F | HIS69 |
F | TRP108 |
F | GLY109 |
F | GLY110 |
F | THR132 |
F | PRO133 |
F | LEU136 |
F | VAL138 |
F | TYR140 |
F | PHE250 |
F | LYS253 |
F | LCV301 |
F | HOH412 |
F | HOH418 |
F | HOH420 |
F | HOH577 |
site_id | AD6 |
Number of Residues | 16 |
Details | binding site for residue LCV F 303 |
Chain | Residue |
F | SER106 |
F | VAL107 |
F | TRP108 |
F | THR128 |
F | PHE129 |
F | SER130 |
F | SER165 |
F | PRO166 |
F | HOH405 |
F | HOH408 |
F | HOH418 |
F | HOH467 |
F | HOH482 |
F | HOH552 |
F | HOH590 |
F | HOH613 |
Functional Information from PROSITE/UniProt
site_id | PS00166 |
Number of Residues | 21 |
Details | ENOYL_COA_HYDRATASE Enoyl-CoA hydratase/isomerase signature. ISmVEGsvwGGAfemiMsSDL |
Chain | Residue | Details |
A | ILE100-LEU120 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 6 |
Details | BINDING: |
Chain | Residue | Details |
E | ALA64 | |
F | ALA64 | |
A | ALA64 | |
B | ALA64 | |
C | ALA64 | |
D | ALA64 |
site_id | SWS_FT_FI2 |
Number of Residues | 18 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10769118 |
Chain | Residue | Details |
E | GLY110 | |
E | THR132 | |
E | LYS253 | |
F | GLY110 | |
F | THR132 | |
F | LYS253 | |
C | GLY110 | |
C | THR132 | |
C | LYS253 | |
D | GLY110 | |
D | THR132 | |
D | LYS253 | |
A | GLY110 | |
A | THR132 | |
A | LYS253 | |
B | GLY110 | |
B | THR132 | |
B | LYS253 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 3 |
Details | M-CSA 70 |
Chain | Residue | Details |
A | HIS66 | electrostatic stabiliser, hydrogen bond donor |
A | GLY110 | electrostatic stabiliser, hydrogen bond donor |
A | TYR140 | hydrogen bond donor, steric role |
site_id | MCSA2 |
Number of Residues | 3 |
Details | M-CSA 70 |
Chain | Residue | Details |
B | HIS66 | electrostatic stabiliser, hydrogen bond donor |
B | GLY110 | electrostatic stabiliser, hydrogen bond donor |
B | TYR140 | hydrogen bond donor, steric role |
site_id | MCSA3 |
Number of Residues | 3 |
Details | M-CSA 70 |
Chain | Residue | Details |
C | HIS66 | electrostatic stabiliser, hydrogen bond donor |
C | GLY110 | electrostatic stabiliser, hydrogen bond donor |
C | TYR140 | hydrogen bond donor, steric role |
site_id | MCSA4 |
Number of Residues | 3 |
Details | M-CSA 70 |
Chain | Residue | Details |
D | HIS66 | electrostatic stabiliser, hydrogen bond donor |
D | GLY110 | electrostatic stabiliser, hydrogen bond donor |
D | TYR140 | hydrogen bond donor, steric role |
site_id | MCSA5 |
Number of Residues | 3 |
Details | M-CSA 70 |
Chain | Residue | Details |
E | HIS66 | electrostatic stabiliser, hydrogen bond donor |
E | GLY110 | electrostatic stabiliser, hydrogen bond donor |
E | TYR140 | hydrogen bond donor, steric role |
site_id | MCSA6 |
Number of Residues | 3 |
Details | M-CSA 70 |
Chain | Residue | Details |
F | HIS66 | electrostatic stabiliser, hydrogen bond donor |
F | GLY110 | electrostatic stabiliser, hydrogen bond donor |
F | TYR140 | hydrogen bond donor, steric role |