Structure of PDB 1ocn Chain A

Receptor sequence
>1ocnA (length=360) Species: 34413 (Humicola insolens) [Search protein sequence]
GNPFEGVQLWANNYYRSEVHTLAIPQITDPALRAAASAVAEVPSFQWLDR
NVTVDTLLVQTLSEIREANQAGANPQYAAQIVVYDLPDRDCAAAASNGEW
AIANNGVNNYKAYINRIREILISFSDVRTILVIEPDSLANMVTNMNVPKC
SGAASTYRELTIYALKQLDLPHVAMYMDAGHAGWLGWPANIQPAAELFAK
IYEDAGKPRAVRGLATNVANYNAWSVSSPPPYTSPNPNYDEKHYIEAFRP
LLEARGFPAQFIVDQGRSGKQPTGQKEWGHWCNAIGTGFGMRPTANTGHQ
YVDAFVWVKPGGECDGTSDTTAARYAYHCGLEDALKPAPEAGQWFNEYFI
QLLRNANPPF
3D structure
PDB1ocn Distortion of a Cellobio-Derived Isofagomine Highlights the Potential Conformational Itinerary of Inverting Beta-Glucosidases
ChainA
Resolution1.31 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Y174 R179 D180 S186 D226 D405
Catalytic site (residue number reindexed from 1) Y84 R89 D90 S96 D136 D315
Enzyme Commision number 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).
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 IFM A W137 Y174 S186 A309 K399 D405 W47 Y84 S96 A219 K309 D315 PDBbind-CN: -logKd/Ki=6.39,Ki=412nM
BS02 BGC A W137 D139 S186 K399 P400 E403 W47 D49 S96 K309 P310 E313 PDBbind-CN: -logKd/Ki=6.39,Ki=412nM
BS03 IFM A N234 H271 W274 N144 H181 W184 PDBbind-CN: -logKd/Ki=6.39,Ki=412nM
BS04 BGC A D226 H271 N310 W371 D136 H181 N220 W281 PDBbind-CN: -logKd/Ki=6.39,Ki=412nM
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:1ocn, PDBe:1ocn, PDBj:1ocn
PDBsum1ocn
PubMed12744312
UniProtQ9C1S9|GUX6_HUMIN Exoglucanase-6A (Gene Name=cel6A)

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