Structure of PDB 4g68 Chain B Binding Site BS03

Receptor Information
>4g68 Chain B (length=392) Species: 862261 (Caldanaerobius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITLTFWNLFTGEPAKTKVKEIIDQWNKENPNVQIVESVTENDAYKTKIKA
AIAANEAPDIFQTWAGGFSQPFVEAGKVLQLDSYLNDGTKDQLLPGSFDN
VTYNGKIYGIPFDQQASVLYINKELFDKYNVKVPTTFSELIDAIKTFKSK
GVTPFALGEKDEWPGMWYYDMIALREGGVQLTRDALNGKASFDNQAFTDA
AQKLQDMVNAGAFDSGFMGLTRDEATAEFNQGKAAMYFGGNFDAAAFVSD
PSSLVKGKIEAVRFPTIEGGKGDPTEYIGGTVGALMVSANSKYKDEAVRA
AKYLAKQLSDMDYLIATGLPAWKYDNIDQSKVDPLEIQIMNNIVANAKGS
VPAWDIYLSGDAAQTHKDLVAQLFAKQITPEEYSKQMQQKIN
Ligand information
Ligand IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain4g68 Chain E Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4g68 Biochemical and Structural Insights into Xylan Utilization by the Thermophilic Bacterium Caldanaerobius polysaccharolyticus.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N65 K69 W88 Q139 W187 W191 D379
Binding residue
(residue number reindexed from 1)		N41 K45 W64 Q115 W163 W167 D355
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links