1W1Y
Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Tyr-L-Pro) at 1.85 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 | 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 | 0008843 | molecular_function | endochitinase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| 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 | 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 | 0008843 | molecular_function | endochitinase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| 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 | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A1505 |
| Chain | Residue |
| A | ARG420 |
| A | HOH2493 |
| A | HOH2494 |
| B | LYS386 |
| B | ARG420 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A1506 |
| Chain | Residue |
| A | HOH2497 |
| A | HOH2498 |
| A | PRO281 |
| A | SER282 |
| A | HOH2495 |
| A | HOH2496 |
| site_id | AC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE TYP A1507 |
| Chain | Residue |
| A | TYR10 |
| A | PHE51 |
| A | GLY96 |
| A | TRP97 |
| A | TYR98 |
| A | ASP142 |
| A | GLU144 |
| A | MET212 |
| A | TYR214 |
| A | ASP215 |
| A | TYR292 |
| A | ILE339 |
| A | TRP403 |
| A | TYP1508 |
| A | HOH2197 |
| A | HOH2499 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TYP A1508 |
| Chain | Residue |
| A | PHE12 |
| A | PHE51 |
| A | GLY96 |
| A | TRP97 |
| A | TYR98 |
| A | ASP336 |
| A | TRP403 |
| A | TYP1507 |
| A | HOH2134 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE TYP A1509 |
| Chain | Residue |
| A | TRP97 |
| A | PHE191 |
| A | TRP220 |
| A | HOH2500 |
| A | HOH2501 |
| B | TYR481 |
| B | THR483 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE TYP B1506 |
| Chain | Residue |
| B | TYR10 |
| B | PHE51 |
| B | GLY96 |
| B | TRP97 |
| B | TYR98 |
| B | ASP142 |
| B | GLU144 |
| B | TYR214 |
| B | ASP215 |
| B | TYR292 |
| B | ARG294 |
| B | TRP403 |
| B | TYP1507 |
| B | TYP1508 |
| B | HOH2213 |
| B | HOH2349 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE TYP B1507 |
| Chain | Residue |
| B | PHE12 |
| B | PHE51 |
| B | GLY96 |
| B | TRP97 |
| B | TYR98 |
| B | ASP334 |
| B | ASP336 |
| B | TRP403 |
| B | TYP1506 |
| B | HOH2368 |
| B | HOH2562 |
| B | HOH2563 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TYP B1508 |
| Chain | Residue |
| A | TYR481 |
| A | THR483 |
| A | HOH2455 |
| B | TRP97 |
| B | TRP220 |
| B | TYP1506 |
| B | HOH2363 |
| B | HOH2364 |
| B | HOH2564 |
| site_id | AC9 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE TYP B1509 |
| Chain | Residue |
| B | ARG162 |
| B | ASN166 |
| B | PRO178 |
| B | ALA204 |
| B | PRO205 |
| B | LEU206 |
| B | ASP207 |
| B | LYS284 |
| B | VAL326 |
| B | TYR353 |
| B | GLN372 |
| B | ASN373 |
| B | HOH2566 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A1499 |
| Chain | Residue |
| A | HOH2484 |
| A | ASP215 |
| A | LEU216 |
| A | ALA217 |
| A | TRP220 |
| A | GLU221 |
| A | LEU265 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A1500 |
| Chain | Residue |
| A | TRP479 |
| A | ILE482 |
| A | THR483 |
| A | ASP489 |
| A | HOH2485 |
| B | PHE190 |
| B | PHE191 |
| B | ARG194 |
| site_id | BC3 |
| 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 | HOH2307 |
| A | HOH2486 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1502 |
| Chain | Residue |
| A | ARG244 |
| A | PHE259 |
| A | PRO260 |
| A | SER261 |
| A | HOH2487 |
| B | TRP252 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A1503 |
| Chain | Residue |
| A | ARG162 |
| A | ALA204 |
| A | ASP207 |
| A | LYS284 |
| A | HOH2258 |
| A | HOH2488 |
| A | HOH2489 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A1504 |
| Chain | Residue |
| A | PHE190 |
| A | GLU221 |
| A | HOH2491 |
| A | HOH2492 |
| B | TRP479 |
| B | GLY480 |
| B | HOH2558 |
| site_id | BC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B1500 |
| Chain | Residue |
| B | ARG4 |
| B | HIS46 |
| B | ARG89 |
| B | HOH2148 |
| B | HOH2151 |
| B | HOH2553 |
| B | HOH2554 |
| site_id | BC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B1501 |
| Chain | Residue |
| B | PRO260 |
| B | PHE263 |
| B | SER264 |
| B | ARG439 |
| B | TYR440 |
| B | THR441 |
| B | HOH2555 |
| B | HOH2556 |
| B | HOH2557 |
| site_id | BC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B1502 |
| Chain | Residue |
| A | PHE190 |
| A | ARG194 |
| B | TRP479 |
| B | ILE482 |
| B | THR483 |
| B | ASP489 |
| B | HOH2540 |
| B | HOH2546 |
| B | HOH2558 |
| site_id | CC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B1503 |
| Chain | Residue |
| A | GLY480 |
| A | HOH2485 |
| B | PHE190 |
| B | GLU221 |
| B | GOL1504 |
| B | HOH2559 |
| B | HOH2560 |
| B | HOH2561 |
| site_id | CC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B1504 |
| Chain | Residue |
| B | ASP215 |
| B | LEU216 |
| B | ALA217 |
| B | TRP220 |
| B | GLU221 |
| B | LEU265 |
| B | GOL1503 |
| B | HOH2561 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B1505 |
| Chain | Residue |
| A | TRP252 |
| B | ARG244 |
| B | PHE259 |
| B | PRO260 |
| B | SER261 |
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 |
