Structure of PDB 2cn3 Chain B Binding Site BS03

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

XYS

InChI

InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1

InChIKey

SRBFZHDQGSBBOR-LECHCGJUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341	O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341	O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04	OC1C(O)COC(O)C1O

Formula

C5 H10 O5

Name

alpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE

PDB chain

2cn3 Chain E Residue 7 [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)	G297 W351
Binding residue (residue number reindexed from 1)	G265 W319
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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