1W1P
Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(Gly-L-Pro) at 2.1 A resolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000272 | biological_process | polysaccharide catabolic process |
| A | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| A | 0004568 | molecular_function | chitinase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0006032 | biological_process | chitin catabolic process |
| A | 0008061 | molecular_function | chitin binding |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0030246 | molecular_function | carbohydrate binding |
| B | 0000272 | biological_process | polysaccharide catabolic process |
| B | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| B | 0004568 | molecular_function | chitinase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0006032 | biological_process | chitin catabolic process |
| B | 0008061 | molecular_function | chitin binding |
| B | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| B | 0030246 | molecular_function | carbohydrate binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A1519 |
| Chain | Residue |
| A | ARG420 |
| A | HOH2417 |
| A | HOH2418 |
| A | HOH2419 |
| B | LYS386 |
| B | ARG420 |
| B | HOH2430 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A1520 |
| Chain | Residue |
| A | HOH2420 |
| A | HOH2421 |
| A | HOH2422 |
| A | PRO281 |
| A | SER282 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B1502 |
| Chain | Residue |
| B | THR26 |
| B | ARG343 |
| B | ARG410 |
| B | HOH2512 |
| B | HOH2514 |
| B | HOH2515 |
| B | HOH2516 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B1503 |
| Chain | Residue |
| A | GLU383 |
| A | LYS386 |
| B | ARG420 |
| B | ASP426 |
| B | HOH2517 |
| B | HOH2518 |
| B | HOH2519 |
| B | HOH2520 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B1504 |
| Chain | Residue |
| B | PRO281 |
| B | SER282 |
| B | HOH2521 |
| B | HOH2522 |
| B | HOH2523 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B1505 |
| Chain | Residue |
| A | ASN352 |
| B | ALA455 |
| B | HOH2046 |
| B | HOH2525 |
| B | HOH2526 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GIO A1518 |
| Chain | Residue |
| A | TYR10 |
| A | PHE51 |
| A | GLY96 |
| A | TRP97 |
| A | ASP142 |
| A | GLU144 |
| A | MET212 |
| A | TYR214 |
| A | TRP403 |
| A | GOL1514 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GIO B1501 |
| Chain | Residue |
| B | TYR10 |
| B | PHE51 |
| B | GLY96 |
| B | TRP97 |
| B | ASP142 |
| B | GLU144 |
| B | MET212 |
| B | TYR214 |
| B | TRP403 |
| B | HOH2323 |
| B | HOH2510 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A1499 |
| Chain | Residue |
| A | TRP479 |
| A | TYR481 |
| A | ASP489 |
| A | ALA491 |
| A | HOH2394 |
| A | HOH2398 |
| B | PHE190 |
| B | PHE191 |
| B | ARG194 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A1500 |
| Chain | Residue |
| A | HOH2399 |
| B | TYR323 |
| B | LEU325 |
| B | GLY327 |
| B | CYS328 |
| B | VAL332 |
| B | HOH2352 |
| B | HOH2355 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A1501 |
| Chain | Residue |
| A | PRO260 |
| A | PHE263 |
| A | SER264 |
| A | ARG439 |
| A | TYR440 |
| A | THR441 |
| A | HOH2218 |
| A | HOH2400 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A1502 |
| Chain | Residue |
| A | HOH2401 |
| B | PHE263 |
| B | SER264 |
| B | ARG439 |
| B | TYR440 |
| B | THR441 |
| B | HOH2305 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1503 |
| Chain | Residue |
| A | ARG244 |
| A | THR256 |
| A | PHE259 |
| A | PRO260 |
| A | SER261 |
| B | TRP252 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1504 |
| Chain | Residue |
| A | ASP207 |
| A | LYS284 |
| A | ARG162 |
| A | ALA204 |
| A | LEU206 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A1505 |
| Chain | Residue |
| A | LYS132 |
| A | GLN168 |
| A | THR171 |
| A | HOH2403 |
| A | HOH2404 |
| A | HOH2405 |
| B | LYS115 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1506 |
| Chain | Residue |
| A | HOH2406 |
| B | ARG162 |
| B | ALA204 |
| B | ASP207 |
| B | LYS284 |
| B | HOH2391 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A1507 |
| Chain | Residue |
| A | PHE190 |
| A | SER193 |
| A | ARG194 |
| B | TRP479 |
| B | TYR481 |
| B | SER484 |
| B | ASP489 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1508 |
| Chain | Residue |
| A | GLY480 |
| A | GOL1512 |
| A | HOH2398 |
| B | PHE190 |
| B | GLU221 |
| B | PHE239 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1509 |
| Chain | Residue |
| A | HOH2410 |
| B | GLY188 |
| B | MET212 |
| B | TYR214 |
| B | ASP215 |
| B | HOH2211 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1510 |
| Chain | Residue |
| A | ARG294 |
| A | TRP403 |
| A | GLN407 |
| A | GOL1514 |
| A | HOH2411 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1511 |
| Chain | Residue |
| A | ASP215 |
| A | LEU216 |
| A | TRP220 |
| A | GLU221 |
| A | LEU265 |
| B | GOL1500 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A1512 |
| Chain | Residue |
| A | TYR481 |
| A | GOL1508 |
| B | TRP220 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A1513 |
| Chain | Residue |
| A | TRP220 |
| A | HOH2413 |
| A | HOH2414 |
| B | TYR481 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1514 |
| Chain | Residue |
| A | TRP97 |
| A | ASP215 |
| A | GOL1510 |
| A | GIO1518 |
| A | HOH2414 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A1515 |
| Chain | Residue |
| A | LYS115 |
| A | PRO117 |
| A | ARG120 |
| site_id | CC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A1516 |
| Chain | Residue |
| A | GOL1517 |
| A | HOH2415 |
| B | THR238 |
| site_id | CC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1517 |
| Chain | Residue |
| A | GOL1516 |
| A | HOH2415 |
| B | ALA235 |
| B | GLY236 |
| B | PRO237 |
| B | TYR307 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B1500 |
| Chain | Residue |
| A | PHE190 |
| A | GLU221 |
| A | PHE239 |
| A | GOL1511 |
| B | GLY480 |
| B | HOH2509 |
Functional Information from PROSITE/UniProt
| site_id | PS01095 |
| Number of Residues | 9 |
| Details | GH18_1 Glycosyl hydrolases family 18 (GH18) active site signature. FDGVDIDwE |
| Chain | Residue | Details |
| A | PHE136-GLU144 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ctn |
| Chain | Residue | Details |
| A | ASP142 | |
| A | TYR214 | |
| A | GLU144 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ctn |
| Chain | Residue | Details |
| B | ASP142 | |
| B | TYR214 | |
| B | GLU144 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ctn |
| Chain | Residue | Details |
| A | ASP142 | |
| A | GLU144 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ctn |
| Chain | Residue | Details |
| B | ASP142 | |
| B | GLU144 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ctn |
| Chain | Residue | Details |
| A | ASP140 | |
| A | GLU144 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ctn |
| Chain | Residue | Details |
| B | ASP140 | |
| B | GLU144 |
