1W1V
Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Arg-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 A1518 |
| Chain | Residue |
| A | ARG420 |
| A | HOH2344 |
| A | HOH2346 |
| B | LYS386 |
| B | HOH2291 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A1519 |
| Chain | Residue |
| A | ARG343 |
| A | GLN347 |
| A | ARG410 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE ALJ A1520 |
| Chain | Residue |
| A | PHE51 |
| A | GLY96 |
| A | TRP97 |
| A | ASP142 |
| A | GLU144 |
| A | MET212 |
| A | TYR214 |
| A | ARG294 |
| A | TRP403 |
| A | GOL1516 |
| A | HOH2347 |
| A | HOH2348 |
| A | TYR10 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE ALJ B1513 |
| Chain | Residue |
| B | TYR10 |
| B | PHE51 |
| B | GLY96 |
| B | TRP97 |
| B | ASP142 |
| B | GLU144 |
| B | MET212 |
| B | TYR214 |
| B | ARG294 |
| B | TRP403 |
| B | GOL1511 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A1500 |
| Chain | Residue |
| A | PHE190 |
| A | GLU221 |
| A | PHE239 |
| A | GOL1506 |
| A | HOH2327 |
| B | GLY480 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A1501 |
| Chain | Residue |
| A | PRO260 |
| A | PHE263 |
| A | SER264 |
| A | TYR440 |
| A | THR441 |
| A | HOH2328 |
| A | HOH2329 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A1502 |
| Chain | Residue |
| A | THR3 |
| A | ARG4 |
| A | THR45 |
| A | HIS46 |
| A | ARG89 |
| A | TYR208 |
| A | HOH2065 |
| A | HOH2330 |
| A | HOH2331 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1503 |
| Chain | Residue |
| A | ARG244 |
| A | PHE259 |
| A | PRO260 |
| A | SER261 |
| B | TRP252 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1504 |
| Chain | Residue |
| A | ARG162 |
| A | ALA204 |
| A | LEU206 |
| A | LYS284 |
| A | HOH2332 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1505 |
| Chain | Residue |
| A | LYS132 |
| A | GLN168 |
| A | THR171 |
| A | ASP172 |
| B | LYS115 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A1506 |
| Chain | Residue |
| A | PHE190 |
| A | PHE191 |
| A | ARG194 |
| A | GOL1500 |
| A | HOH2333 |
| A | HOH2334 |
| B | TRP479 |
| B | GLY480 |
| B | TYR481 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A1507 |
| Chain | Residue |
| A | SER197 |
| A | LEU248 |
| A | TRP250 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A1508 |
| Chain | Residue |
| A | ASN247 |
| A | LEU248 |
| A | GLY249 |
| A | HOH2335 |
| B | GLY249 |
| B | TRP250 |
| B | SER251 |
| B | HOH2202 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1509 |
| Chain | Residue |
| A | GLY96 |
| A | TRP97 |
| A | TYR98 |
| A | HOH2068 |
| A | HOH2336 |
| site_id | BC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A1510 |
| Chain | Residue |
| A | ASP63 |
| A | TYR99 |
| A | GOL1511 |
| A | HOH2035 |
| A | PHE12 |
| A | ILE13 |
| A | THR15 |
| A | SER50 |
| A | PHE51 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1511 |
| Chain | Residue |
| A | PRO14 |
| A | THR15 |
| A | ASN16 |
| A | ASP63 |
| A | GOL1510 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A1512 |
| Chain | Residue |
| A | ARG4 |
| A | ASP419 |
| A | ASN423 |
| A | HOH2337 |
| site_id | BC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A1513 |
| Chain | Residue |
| A | VAL33 |
| A | SER34 |
| A | ILE36 |
| A | THR37 |
| A | PRO38 |
| A | LEU81 |
| A | HOH2021 |
| A | HOH2063 |
| A | HOH2338 |
| A | HOH2339 |
| site_id | CC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A1514 |
| Chain | Residue |
| A | ARG357 |
| A | TRP359 |
| A | GLU383 |
| site_id | CC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A1515 |
| Chain | Residue |
| A | LYS390 |
| A | GLN394 |
| A | SER430 |
| A | LEU432 |
| A | MET434 |
| A | HOH2291 |
| A | HOH2340 |
| A | HOH2341 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A1516 |
| Chain | Residue |
| A | TRP97 |
| A | GOL1517 |
| A | ALJ1520 |
| A | HOH2342 |
| A | HOH2343 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A1517 |
| Chain | Residue |
| A | TRP220 |
| A | GOL1516 |
| site_id | CC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B1500 |
| Chain | Residue |
| A | TRP479 |
| A | GLY480 |
| A | TYR481 |
| A | ILE482 |
| B | PHE190 |
| B | PHE191 |
| B | ARG194 |
| B | GOL1507 |
| B | HOH2351 |
| B | HOH2352 |
| site_id | CC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B1501 |
| Chain | Residue |
| B | ARG4 |
| B | HIS46 |
| B | ARG89 |
| B | GOL1504 |
| B | HOH2047 |
| B | HOH2164 |
| site_id | CC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B1502 |
| Chain | Residue |
| B | TYR323 |
| B | LEU325 |
| B | VAL326 |
| B | GLY327 |
| B | CYS328 |
| B | GLU329 |
| B | VAL332 |
| B | HOH2232 |
| B | HOH2235 |
| B | HOH2353 |
| site_id | CC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B1503 |
| Chain | Residue |
| B | PRO260 |
| B | PHE263 |
| B | SER264 |
| B | ARG439 |
| B | TYR440 |
| B | THR441 |
| B | HOH2354 |
| B | HOH2355 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B1504 |
| Chain | Residue |
| B | ARG89 |
| B | PRO178 |
| B | GLN180 |
| B | GOL1501 |
| B | HOH2164 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B1505 |
| Chain | Residue |
| B | ARG162 |
| B | ALA204 |
| B | LEU206 |
| B | ASP207 |
| B | LYS284 |
| B | HOH2139 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B1506 |
| Chain | Residue |
| B | ARG4 |
| B | ASP419 |
| B | ASN423 |
| B | HOH2041 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B1507 |
| Chain | Residue |
| A | GLY480 |
| B | PHE190 |
| B | GLU221 |
| B | GOL1500 |
| site_id | DC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B1508 |
| Chain | Residue |
| B | TYR145 |
| B | ALA186 |
| B | GLY187 |
| B | GLY188 |
| B | PHE191 |
| B | MET212 |
| B | TYR214 |
| B | ASP215 |
| B | GOL1511 |
| B | HOH2356 |
| site_id | DC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B1509 |
| Chain | Residue |
| A | ASP426 |
| B | GLU383 |
| B | LYS386 |
| B | HOH2273 |
| B | HOH2358 |
| site_id | DC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B1510 |
| Chain | Residue |
| B | TRP97 |
| B | PHE191 |
| B | GOL1511 |
| B | GOL1512 |
| site_id | DC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B1511 |
| Chain | Residue |
| B | TRP97 |
| B | GLU144 |
| B | TYR145 |
| B | MET212 |
| B | ASP215 |
| B | GOL1508 |
| B | GOL1510 |
| B | ALJ1513 |
| site_id | DC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B1512 |
| Chain | Residue |
| A | TYR481 |
| B | TRP220 |
| B | GOL1510 |
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 |
