Structure of PDB 2cn3 Chain B Binding Site BS01

Receptor Information

>2cn3 Chain B (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

BGC

InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1

InChIKey

WQZGKKKJIJFFOK-VFUOTHLCSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

beta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose

PDB chain

2cn3 Chain E Residue 4 [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)	Y295 G430 D480
Binding residue (residue number reindexed from 1)	Y263 G398 D448
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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