6N94
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(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 | 20 |
Details | binding site for residue KGJ A 301 |
Chain | Residue |
A | LEU25 |
A | GLY109 |
A | GLY110 |
A | THR132 |
A | PRO133 |
A | LEU136 |
A | TYR140 |
A | LYS253 |
A | HOH417 |
A | HOH455 |
A | HOH504 |
A | LYS60 |
A | HOH544 |
A | ALA64 |
A | GLY65 |
A | HIS66 |
A | ASP67 |
A | ILE68 |
A | HIS69 |
A | TRP108 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue NI A 302 |
Chain | Residue |
A | HIS220 |
A | HOH608 |
A | HOH621 |
B | HIS220 |
C | HIS220 |
C | HOH613 |
site_id | AC3 |
Number of Residues | 17 |
Details | binding site for residue KGJ B 301 |
Chain | Residue |
B | LYS60 |
B | ALA64 |
B | GLY65 |
B | HIS66 |
B | ASP67 |
B | ILE68 |
B | GLY110 |
B | THR132 |
B | PRO133 |
B | LEU136 |
B | VAL138 |
B | TYR140 |
B | PHE250 |
B | LYS253 |
B | HOH407 |
B | HOH439 |
B | HOH528 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue PEG B 302 |
Chain | Residue |
B | SER57 |
B | HOH585 |
B | HOH601 |
B | HOH605 |
site_id | AC5 |
Number of Residues | 21 |
Details | binding site for residue KGJ C 301 |
Chain | Residue |
C | ARG23 |
C | LYS24 |
C | LEU25 |
C | LYS60 |
C | ALA64 |
C | GLY65 |
C | HIS66 |
C | ASP67 |
C | ILE68 |
C | TRP108 |
C | GLY110 |
C | THR132 |
C | PRO133 |
C | LEU136 |
C | TYR140 |
C | PHE250 |
C | HOH405 |
C | HOH438 |
C | HOH441 |
C | HOH478 |
C | HOH493 |
site_id | AC6 |
Number of Residues | 15 |
Details | binding site for residue KGJ C 302 |
Chain | Residue |
B | HIS197 |
B | HOH523 |
B | HOH614 |
C | SER106 |
C | VAL107 |
C | TRP108 |
C | THR128 |
C | PHE129 |
C | SER130 |
C | SER165 |
C | PRO166 |
C | HOH403 |
C | HOH440 |
C | HOH504 |
C | HOH550 |
site_id | AC7 |
Number of Residues | 3 |
Details | binding site for residue K C 303 |
Chain | Residue |
C | GLN38 |
C | PG4305 |
C | HOH629 |
site_id | AC8 |
Number of Residues | 3 |
Details | binding site for residue PEG C 304 |
Chain | Residue |
C | ASN44 |
C | HOH424 |
C | HOH462 |
site_id | AC9 |
Number of Residues | 5 |
Details | binding site for residue PG4 C 305 |
Chain | Residue |
C | ASP34 |
C | GLN38 |
C | SER41 |
C | K303 |
D | LYS253 |
site_id | AD1 |
Number of Residues | 6 |
Details | binding site for residue NI D 301 |
Chain | Residue |
F | HIS220 |
D | HIS220 |
D | HOH586 |
D | HOH601 |
E | HIS220 |
E | HOH577 |
site_id | AD2 |
Number of Residues | 18 |
Details | binding site for residue KGJ D 302 |
Chain | Residue |
D | LYS24 |
D | LEU25 |
D | LYS60 |
D | ALA64 |
D | GLY65 |
D | HIS66 |
D | ASP67 |
D | ILE68 |
D | TRP108 |
D | GLY110 |
D | THR132 |
D | PRO133 |
D | LEU136 |
D | TYR140 |
D | PHE250 |
D | LYS253 |
D | HOH420 |
D | HOH423 |
site_id | AD3 |
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 | HOH579 |
site_id | AD4 |
Number of Residues | 21 |
Details | binding site for residue KGJ E 301 |
Chain | Residue |
A | HOH463 |
E | ARG23 |
E | LYS24 |
E | LEU25 |
E | LYS60 |
E | ALA64 |
E | GLY65 |
E | HIS66 |
E | ASP67 |
E | ILE68 |
E | HIS69 |
E | TRP108 |
E | GLY110 |
E | THR132 |
E | PRO133 |
E | LEU136 |
E | TYR140 |
E | PHE250 |
E | LYS253 |
E | HOH421 |
E | HOH447 |
site_id | AD5 |
Number of Residues | 17 |
Details | binding site for residue KGJ E 302 |
Chain | Residue |
A | LYS255 |
D | HIS197 |
E | SER106 |
E | VAL107 |
E | TRP108 |
E | THR128 |
E | PHE129 |
E | SER130 |
E | SER165 |
E | PRO166 |
E | HOH418 |
E | HOH428 |
E | HOH497 |
E | HOH533 |
E | HOH548 |
E | HOH600 |
E | HOH608 |
site_id | AD6 |
Number of Residues | 17 |
Details | binding site for residue KGJ F 301 |
Chain | Residue |
F | ARG23 |
F | LYS24 |
F | LEU25 |
F | ALA64 |
F | GLY65 |
F | HIS66 |
F | ASP67 |
F | ILE68 |
F | TRP108 |
F | GLY110 |
F | THR132 |
F | PRO133 |
F | LEU136 |
F | TYR140 |
F | PHE250 |
F | LYS253 |
F | HOH440 |
site_id | AD7 |
Number of Residues | 15 |
Details | binding site for residue KGJ F 302 |
Chain | Residue |
E | HIS197 |
E | HOH578 |
F | SER106 |
F | VAL107 |
F | TRP108 |
F | THR128 |
F | PHE129 |
F | SER130 |
F | SER165 |
F | PRO166 |
F | HOH412 |
F | HOH430 |
F | HOH465 |
F | HOH582 |
F | HOH592 |
site_id | AD8 |
Number of Residues | 3 |
Details | binding site for residue K F 303 |
Chain | Residue |
F | PGE304 |
F | HOH406 |
F | HOH610 |
site_id | AD9 |
Number of Residues | 6 |
Details | binding site for residue PGE F 304 |
Chain | Residue |
D | HOH565 |
F | PHE190 |
F | GLN193 |
F | MET194 |
F | K303 |
F | HOH409 |
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 |
A | ALA64 | |
B | ALA64 | |
C | ALA64 | |
D | ALA64 | |
E | ALA64 | |
F | ALA64 |
site_id | SWS_FT_FI2 |
Number of Residues | 18 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10769118 |
Chain | Residue | Details |
A | GLY110 | |
D | GLY110 | |
D | THR132 | |
D | LYS253 | |
E | GLY110 | |
E | THR132 | |
E | LYS253 | |
F | GLY110 | |
F | THR132 | |
F | LYS253 | |
A | THR132 | |
A | LYS253 | |
B | GLY110 | |
B | THR132 | |
B | LYS253 | |
C | GLY110 | |
C | THR132 | |
C | 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 |