Structure of PDB 4g68 Chain A Binding Site BS01

Receptor Information
>4g68 Chain A (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 IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain4g68 Chain D Residue 1 [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)		F33 T34 G35 R246 T341
Binding residue
(residue number reindexed from 1)		F9 T10 G11 R222 T317
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links