4QFE
Crystal Structure of an Enoyl-CoA hydratase from Mycobacterium smegmatis
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0003824 | molecular_function | catalytic activity |
A | 0004300 | molecular_function | enoyl-CoA hydratase activity |
B | 0003824 | molecular_function | catalytic activity |
B | 0004300 | molecular_function | enoyl-CoA hydratase activity |
C | 0003824 | molecular_function | catalytic activity |
C | 0004300 | molecular_function | enoyl-CoA hydratase activity |
D | 0003824 | molecular_function | catalytic activity |
D | 0004300 | molecular_function | enoyl-CoA hydratase activity |
E | 0003824 | molecular_function | catalytic activity |
E | 0004300 | molecular_function | enoyl-CoA hydratase activity |
F | 0003824 | molecular_function | catalytic activity |
F | 0004300 | molecular_function | enoyl-CoA hydratase activity |
G | 0003824 | molecular_function | catalytic activity |
G | 0004300 | molecular_function | enoyl-CoA hydratase activity |
H | 0003824 | molecular_function | catalytic activity |
H | 0004300 | molecular_function | enoyl-CoA hydratase activity |
I | 0003824 | molecular_function | catalytic activity |
I | 0004300 | molecular_function | enoyl-CoA hydratase activity |
J | 0003824 | molecular_function | catalytic activity |
J | 0004300 | molecular_function | enoyl-CoA hydratase activity |
K | 0003824 | molecular_function | catalytic activity |
K | 0004300 | molecular_function | enoyl-CoA hydratase activity |
L | 0003824 | molecular_function | catalytic activity |
L | 0004300 | molecular_function | enoyl-CoA hydratase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 301 |
Chain | Residue |
A | TYR103 |
A | ASP123 |
A | THR125 |
B | ALA187 |
site_id | AC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 302 |
Chain | Residue |
A | MET0 |
A | SER2 |
A | HOH526 |
H | TYR170 |
site_id | AC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO A 303 |
Chain | Residue |
A | LEU92 |
A | TRP114 |
A | ASP116 |
A | ARG207 |
A | HOH437 |
A | HOH447 |
A | MET90 |
site_id | AC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO A 304 |
Chain | Residue |
A | GLU122 |
A | VAL178 |
A | VAL179 |
A | PRO180 |
A | HOH477 |
A | HOH480 |
site_id | AC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE NA A 305 |
Chain | Residue |
A | GLY215 |
A | HOH548 |
D | GLY215 |
F | GLY215 |
F | HOH482 |
site_id | AC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EOH B 301 |
Chain | Residue |
B | ARG147 |
B | LEU148 |
B | HOH488 |
site_id | AC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE EDO B 302 |
Chain | Residue |
B | GLU218 |
B | ASN219 |
site_id | AC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 303 |
Chain | Residue |
B | MET90 |
B | LEU92 |
B | TRP114 |
B | ASP116 |
B | ARG207 |
site_id | AC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE PO4 B 304 |
Chain | Residue |
B | ILE149 |
B | GLY150 |
B | HOH453 |
E | ILE149 |
H | ILE149 |
H | GLY150 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE NA B 305 |
Chain | Residue |
B | GLY215 |
B | HOH460 |
B | HOH519 |
E | GLY215 |
H | GLY215 |
site_id | BC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO E 301 |
Chain | Residue |
E | LEU92 |
E | VAL96 |
E | TRP114 |
E | ASP116 |
E | ARG207 |
E | HOH439 |
E | HOH476 |
site_id | BC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO F 301 |
Chain | Residue |
A | ARG162 |
A | GLU168 |
F | TYR170 |
site_id | BC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO F 302 |
Chain | Residue |
E | VAL1 |
F | GLU122 |
F | VAL178 |
site_id | BC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO G 301 |
Chain | Residue |
B | TYR103 |
B | VAL105 |
B | PHE129 |
B | TRP133 |
G | GLN186 |
G | GLU189 |
G | HOH457 |
site_id | BC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO G 302 |
Chain | Residue |
B | PHE129 |
G | ARG185 |
G | HOH421 |
G | HOH429 |
site_id | BC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO G 303 |
Chain | Residue |
G | MET90 |
G | LEU92 |
G | TRP114 |
G | ASP116 |
G | ARG207 |
G | HOH475 |
site_id | BC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE NA G 304 |
Chain | Residue |
G | GLY215 |
I | GLY215 |
L | GLY215 |
L | HOH403 |
site_id | BC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE PO4 G 305 |
Chain | Residue |
G | ILE149 |
G | GLY150 |
G | HOH518 |
I | ILE149 |
I | GLY150 |
L | ILE149 |
L | GLY150 |
site_id | CC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE PO4 H 301 |
Chain | Residue |
A | SER-1 |
E | ARG162 |
E | GLU168 |
H | TYR170 |
H | ARG177 |
site_id | CC2 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE EOH I 301 |
Chain | Residue |
I | PRO30 |
I | HOH480 |
site_id | CC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO I 302 |
Chain | Residue |
I | ASN57 |
J | ARG162 |
J | GLU168 |
K | TYR170 |
site_id | CC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO I 303 |
Chain | Residue |
I | MET90 |
I | ASP91 |
I | LEU92 |
I | TRP114 |
I | ASP116 |
I | ARG207 |
site_id | CC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO I 304 |
Chain | Residue |
G | ARG177 |
I | ARG162 |
I | HOH441 |
I | HOH509 |
I | HOH521 |
site_id | CC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO I 305 |
Chain | Residue |
I | TYR170 |
I | ARG177 |
I | VAL178 |
I | HOH511 |
site_id | CC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO I 306 |
Chain | Residue |
I | ARG144 |
I | LEU148 |
I | HOH405 |
I | HOH411 |
I | HOH524 |
site_id | CC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO I 307 |
Chain | Residue |
I | ARG20 |
I | PRO21 |
I | GLU22 |
I | ALA23 |
I | HOH462 |
I | HOH467 |
site_id | CC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO J 301 |
Chain | Residue |
J | ARG24 |
J | ALA62 |
J | TYR103 |
J | HOH414 |
J | HOH515 |
J | HOH516 |
site_id | DC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO J 302 |
Chain | Residue |
J | MET90 |
J | LEU92 |
J | TRP114 |
J | ASP116 |
J | ARG207 |
J | HOH524 |
J | HOH536 |
site_id | DC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE EDO J 303 |
Chain | Residue |
I | GLU22 |
J | ARG153 |
J | GLU168 |
J | ILE172 |
J | HOH455 |
K | TYR170 |
K | ASN176 |
K | HOH418 |
site_id | DC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO J 304 |
Chain | Residue |
C | HIS151 |
J | LEU113 |
J | ARG144 |
J | LEU148 |
J | HOH416 |
J | HOH453 |
J | HOH501 |
site_id | DC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO J 305 |
Chain | Residue |
D | VAL105 |
D | PHE129 |
J | ARG185 |
J | GLN186 |
J | GLU189 |
J | HOH544 |
site_id | DC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO J 306 |
Chain | Residue |
J | ARG177 |
J | LEU191 |
J | HOH499 |
site_id | DC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE NA J 307 |
Chain | Residue |
C | GLY215 |
C | HOH403 |
J | GLY215 |
J | HOH533 |
K | GLY215 |
site_id | DC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO C 301 |
Chain | Residue |
C | ARG162 |
C | HOH404 |
J | TYR170 |
J | ARG177 |
site_id | DC8 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE EDO C 302 |
Chain | Residue |
C | ILE149 |
C | GLY150 |
C | HOH427 |
C | HOH493 |
J | ILE149 |
J | GLY150 |
K | ILE149 |
K | GLY150 |
site_id | DC9 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE PO4 D 301 |
Chain | Residue |
A | ILE149 |
A | GLY150 |
D | ILE149 |
D | GLY150 |
D | HOH401 |
D | HOH504 |
F | ILE149 |
F | GLY150 |
site_id | EC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO D 302 |
Chain | Residue |
A | TYR170 |
D | ARG162 |
D | GLU168 |
D | HOH444 |
D | HOH525 |
site_id | EC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO K 301 |
Chain | Residue |
B | GLU73 |
K | ARG6 |
K | GLU8 |
K | ARG185 |
site_id | EC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO K 302 |
Chain | Residue |
K | LEU92 |
K | VAL96 |
K | TRP114 |
K | ASP116 |
K | ARG207 |
K | HOH461 |
K | HOH496 |
site_id | EC4 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO K 303 |
Chain | Residue |
J | HIS151 |
K | LEU113 |
K | ARG144 |
K | LEU148 |
K | HOH428 |
K | HOH458 |
K | HOH500 |
site_id | EC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO L 301 |
Chain | Residue |
L | LEU113 |
L | ARG144 |
L | TRP214 |
L | HOH411 |
L | HOH466 |
site_id | EC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO L 302 |
Chain | Residue |
L | MET90 |
L | LEU92 |
L | TRP114 |
L | ASP116 |
L | ARG207 |
L | HOH435 |
Functional Information from PROSITE/UniProt
site_id | PS00166 |
Number of Residues | 21 |
Details | ENOYL_COA_HYDRATASE Enoyl-CoA hydratase/isomerase signature. IAaISGyavAGGlelaLwCDL |
Chain | Residue | Details |
A | ILE97-LEU117 |