1W1T
Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(His-L-Pro) at 1.9 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 | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1511 |
| Chain | Residue |
| A | ARG420 |
| A | HOH2299 |
| A | HOH2351 |
| A | HOH2352 |
| B | LYS386 |
| B | HOH2347 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1512 |
| Chain | Residue |
| A | HOH2353 |
| A | PRO281 |
| A | SER282 |
| A | HOH2202 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1508 |
| Chain | Residue |
| A | LYS386 |
| B | ARG420 |
| B | HOH2354 |
| B | HOH2414 |
| B | HOH2415 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1509 |
| Chain | Residue |
| B | PRO281 |
| B | SER282 |
| B | HOH2416 |
| B | HOH2417 |
| B | HOH2418 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1510 |
| Chain | Residue |
| A | ASN352 |
| B | PRO454 |
| B | ALA455 |
| B | HOH2033 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1511 |
| Chain | Residue |
| B | THR26 |
| B | ARG343 |
| B | ARG410 |
| B | HOH2419 |
| B | HOH2420 |
| B | HOH2421 |
| B | HOH2422 |
| site_id | AC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE CHQ A 1513 |
| Chain | Residue |
| A | TYR10 |
| A | PHE51 |
| A | GLY96 |
| A | TRP97 |
| A | ASP142 |
| A | GLU144 |
| A | MET212 |
| A | TYR214 |
| A | ASP215 |
| A | TRP403 |
| A | GOL1508 |
| A | CHQ1514 |
| A | HOH2354 |
| A | HOH2355 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE CHQ A 1514 |
| Chain | Residue |
| A | TRP97 |
| A | ASP215 |
| A | TRP220 |
| A | GOL1508 |
| A | GOL1509 |
| A | CHQ1513 |
| A | HOH2355 |
| A | HOH2356 |
| site_id | AC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE CHQ B 1512 |
| Chain | Residue |
| B | TYR10 |
| B | PHE51 |
| B | GLY96 |
| B | TRP97 |
| B | ASP142 |
| B | GLU144 |
| B | MET212 |
| B | TYR214 |
| B | ASP215 |
| B | TRP403 |
| B | GOL1507 |
| B | CHQ1513 |
| B | HOH2423 |
| B | HOH2424 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CHQ B 1513 |
| Chain | Residue |
| B | PHE191 |
| B | GOL1507 |
| B | CHQ1512 |
| B | HOH2424 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1500 |
| Chain | Residue |
| A | PHE190 |
| A | GLU221 |
| A | PHE239 |
| A | GOL1509 |
| B | GLY480 |
| site_id | BC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1501 |
| Chain | Residue |
| A | PRO260 |
| A | PHE263 |
| A | SER264 |
| A | ARG439 |
| A | TYR440 |
| A | THR441 |
| A | HOH2191 |
| A | HOH2341 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1502 |
| Chain | Residue |
| A | THR3 |
| A | ARG4 |
| A | THR45 |
| A | HIS46 |
| A | ARG89 |
| A | TYR208 |
| A | HOH2157 |
| A | HOH2343 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 1503 |
| Chain | Residue |
| A | ARG244 |
| A | PHE259 |
| A | PRO260 |
| A | SER261 |
| A | HOH2174 |
| B | TRP252 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1504 |
| Chain | Residue |
| A | ALA204 |
| A | LEU206 |
| A | ASP207 |
| A | LYS284 |
| A | HOH2344 |
| A | HOH2345 |
| A | ARG162 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1505 |
| Chain | Residue |
| A | PHE190 |
| A | PHE191 |
| A | ARG194 |
| A | HOH2346 |
| B | TRP479 |
| B | SER484 |
| B | ASP489 |
| B | HOH2400 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 1506 |
| Chain | Residue |
| A | ARG72 |
| A | ASN76 |
| A | GLN431 |
| A | HOH2347 |
| site_id | BC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 1507 |
| Chain | Residue |
| A | PHE12 |
| A | ILE13 |
| A | PRO14 |
| A | THR15 |
| A | SER50 |
| A | PHE51 |
| A | ASP63 |
| A | TYR99 |
| A | HOH2042 |
| site_id | CC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1508 |
| Chain | Residue |
| A | ASP215 |
| A | ARG294 |
| A | TRP403 |
| A | GLN407 |
| A | CHQ1513 |
| A | CHQ1514 |
| A | HOH2348 |
| A | HOH2355 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1509 |
| Chain | Residue |
| A | ASP215 |
| A | LEU216 |
| A | TRP220 |
| A | GLU221 |
| A | GOL1500 |
| A | CHQ1514 |
| A | HOH2349 |
| site_id | CC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1510 |
| Chain | Residue |
| A | TYR323 |
| A | VAL326 |
| A | GLY327 |
| A | CYS328 |
| A | GLU329 |
| A | VAL332 |
| A | HOH2350 |
| site_id | CC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 1500 |
| Chain | Residue |
| A | TRP479 |
| A | GLY480 |
| A | TYR481 |
| A | ASP489 |
| B | PHE190 |
| B | PHE191 |
| B | ARG194 |
| B | GOL1506 |
| B | HOH2408 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1501 |
| Chain | Residue |
| B | THR3 |
| B | ARG4 |
| B | LYS5 |
| B | ALA6 |
| B | THR45 |
| B | GOL1504 |
| B | HOH2409 |
| site_id | CC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 1502 |
| Chain | Residue |
| B | TYR323 |
| B | LEU325 |
| B | VAL326 |
| B | GLY327 |
| B | CYS328 |
| B | VAL332 |
| B | HOH2279 |
| B | HOH2282 |
| site_id | CC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1503 |
| Chain | Residue |
| B | PHE263 |
| B | SER264 |
| B | ARG439 |
| B | TYR440 |
| B | THR441 |
| B | HOH2246 |
| B | HOH2410 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 1504 |
| Chain | Residue |
| B | ARG89 |
| B | PRO178 |
| B | GLN180 |
| B | GOL1501 |
| B | HOH2409 |
| B | HOH2411 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1505 |
| Chain | Residue |
| B | ARG162 |
| B | ALA204 |
| B | LYS284 |
| B | HOH2412 |
| B | HOH2413 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1506 |
| Chain | Residue |
| A | GLY480 |
| B | PHE190 |
| B | GLU221 |
| B | PHE239 |
| B | GOL1500 |
| site_id | DC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1507 |
| Chain | Residue |
| B | ASP215 |
| B | TYR292 |
| B | ARG294 |
| B | TRP403 |
| B | GLN407 |
| B | CHQ1512 |
| B | CHQ1513 |
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 |
