Structure of PDB 2a3c Chain A

Receptor sequence
>2a3cA (length=395) [Search protein sequence]
ASSGYRSVVYFVNWAIYGRNHNPQDLPVERLTHVLYAFANVRPETGEVYM
TDSWADIEKHYPGDSWSDTGNNVYGCIKQLYLLKKQNRNLKVLLSIGGWT
YSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPENDQQANDF
VLLLKEVRTALDSYSAANAGGQHFLLTVASPAGPDKIKVLHLKDMDQQLD
FWNLMAYDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVP
ANKIVLGMPLYGRSFANTDGPGKPYNGVGQGSWENGVWDYKALPQAGATE
HVLPDIMASYSYDATNKFLISYDNPQVANLKSGYIKSLGLGGAMWWDSSS
DKTGSDSLITTVVNALGGTGVFEQSQNELDYPVSQYDNLRNGMQT
3D structure
PDB2a3c Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
ChainA
Resolution2.07 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D173 D175 E177 Y245
Catalytic site (residue number reindexed from 1) D135 D137 E139 Y207
Enzyme Commision number 3.2.1.14: chitinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 PNX A W52 F76 G136 W137 D175 M243 Y245 W384 W14 F38 G98 W99 D137 M205 Y207 W346 MOAD: Kd=43uM
PDBbind-CN: -logKd/Ki=4.43,Ki=37uM
BindingDB: Kd=43000nM,Ki=37000nM,IC50=126000nM
BS02 PNX A W137 Y178 D246 A248 G249 F251 R301 W99 Y140 D208 A210 G211 F213 R263 MOAD: Kd=43uM
PDBbind-CN: -logKd/Ki=4.43,Ki=37uM
BindingDB: Kd=43000nM,Ki=37000nM,IC50=126000nM
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008061 chitin binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2a3c, PDBe:2a3c, PDBj:2a3c
PDBsum2a3c
PubMed16183021
UniProtQ873X9|CHIB1_ASPFM Endochitinase B1 (Gene Name=chiB1)

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