Structure of PDB 2cn3 Chain A Binding Site BS06

Receptor Information

>2cn3 Chain A (length=728) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VTSVPYKWDNVVIGGGGGFMPGIVFNETEKDLIYARAAIGGAYRWDPSTE
TWIPLLDHFQMDEYSYYGVESIATDPVDPNRVYIVAGMYTNDWLPNMGAI
LRSTDRGETWEKTILPFKMGGNMPGRSMGERLAIDPNDNRILYLGTRCGN
GLWRSTDYGVTWSKVESFPNPGTYIYDPNFDYTKDIIGVVWVVFDKSSST
PGNPTKTIYVGVADKNESIYRSTDGGVTWKAVPGQPKGLLPHHGVLASNG
MLYITYGDTCGPYDGNGKGQVWKFNTRTGEWIDITPIPYSSSDNRFCFAG
LAVDRQNPDIIMVTSMNAWWPDEYIFRSTDGGATWKNIWEWGMYPERILH
YEIDISAAPWLDWGTEKQLPEINPKLGWMIGDIEIDPFNSDRMMYVTGAT
IYGCDNLTDWDRGGKVKIEVKATGIEECAVLDLVSPPEGAPLVSAVGDLV
GFVHDDLKVGPKKMHVPSYSSGTGIDYAELVPNFMALVAKADLYDVKKIS
FSYDGGRNWFQPPNEAPNSVGGGSVAVAADAKSVIWTPENASPAVTTDNG
NSWKVCTNLGMGAVVASDRVNGKKFYAFYNGKFYISTDGGLTFTDTKAPQ
LPKSVNKIKAVPGKEGHVWLAAREGGLWRSTDGGYTFEKLSNVDTAHVVG
FGKAAPGQDYMAIYITGKIDNVLGFFRSDDAGKTWVRINDDEHGYGAVDT
AITGDPRVYGRVYIATNGRGIVYGEPAS

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

2cn3 Chain A Residue 1778 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2cn3 Crystal Structures of Clostridium Thermocellum Xyloglucanase, Xgh74A, Reveal the Structural Basis for Xyloglucan Recognition and Degradation
Resolution	1.95 Å
Binding residue (original residue number in PDB)	I55 D414 E416
Binding residue (residue number reindexed from 1)	I23 D382 E384
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.2.1.-

External links

PDB	RCSB:2cn3, PDBe:2cn3, PDBj:2cn3
PDBsum	2cn3
PubMed	16772298
UniProt	Q70DK5\|XG74_ACETH Xyloglucanase Xgh74A (Gene Name=xghA)

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