Structure of PDB 1gw1 Chain A Binding Site BS03

Receptor Information
>1gw1 Chain A (length=375) Species: 155077 (Cellvibrio japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPVTVKLVDSQATMETRSLFAFMQEQRRHSIMFGHQHETTQGLTITRTDG
TQSDTFNAVGDFAAVYGWDTLSIVAPKAEGDIVAQVKKAYARGGIITVSS
HFDNPKTDTQKGVWPVGTSWDQTPAVVDSLPGGAYNPVLNGYLDQVAEWA
NNLKDEQGRLIPVIFRLYHANTGSWFWWGDKQSTPEQYKQLFRYSVEYLR
DVKGVRNFLYAYSPNNFWDVTEANYLERYPGDEWVDVLGFDTYGPVADNA
DWFRNVVANAALVARMAEARGKIPVISEIGIRAPDIEAGLYDNQWYRKLI
SGLKADPDAREIAFLLVWRNAPQGVPGQVPHYWVPANRPENINNGTLEDF
QAFYADEFTAFNRDIEQVYQRPTLI
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1gw1 Chain A Residue 1422 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gw1 Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State
Resolution1.65 Å
Binding residue
(original residue number in PDB)		E67 H71
Binding residue
(residue number reindexed from 1)		E25 H29
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.78: mannan endo-1,4-beta-mannosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016985 mannan endo-1,4-beta-mannosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0006080 substituted mannan metabolic process
GO:0010391 glucomannan metabolic process
GO:0051069 galactomannan metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1gw1, PDBe:1gw1, PDBj:1gw1
PDBsum1gw1
PubMed12203498
UniProtP49424|MANA_CELJU Mannan endo-1,4-beta-mannosidase (Gene Name=manA)

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