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 | 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 | 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 |