Structure of PDB 6y1w Chain A Binding Site BS03

Receptor Information
>6y1w Chain A (length=505) Species: 509169 (Xanthomonas campestris pv. campestris str. B100) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSESQRLVRRVVIAGGGTAGWMAAAALSKLLGRQLQITLVESDEIGTVGV
GEATIPSLVTFHRLLEIDEAQFMAATQATFKVGIAFEHWRDVDRHYIHSF
GHTGTDHWSAGFQHFWLKAHARGVARDFGDYCLELRAAQEGRFAHLPNGG
MNYAYHLDAGLYARFLRRFSEGFGVQRIEGRIGSVQTDAHSGDIAALVLD
DGTRIEGDLFLDCTGFRALLIGQTLGVGSEDWSRWLFADSALAVQTESVG
APVTFTRARADRAGWMWRIPLQHRVGNGIVYSSRYTDQDSAAQVLEHNLQ
GRALTTPRALRFTPNQRHRVWEKNCVALGLASGFLEPIESTNIHLIQRGI
VRLLQTFPQVIDPVDIAEYNRQAAEEIAHIRDFVILHYHATDRRDTAFWR
DCASMEIPDSLRHRMELFRQSGRVFHQGNELFAENSWIQVMLGQGIVPRH
HHPVADLMGDAELSQFLEGIRQRVEATLARLPPHAEFLRRYCPAPAPPAP
MPQPA
Ligand information
Ligand IDBUD
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKeyOWBTYPJTUOEWEK-IMJSIDKUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@@H]([C@H](C)O)O
CACTVS 3.370C[C@H](O)[C@H](C)O
ACDLabs 12.01OC(C)C(O)C
OpenEye OEToolkits 1.7.0CC(C(C)O)O
CACTVS 3.370C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(2S,3S)-butane-2,3-diol
ChEMBL
DrugBank
ZINCZINC000000901619
PDB chain6y1w Chain A Residue 608 [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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PDB6y1w Structure of apo flavin-dependent halogenase Xcc4156 hints at a reason for cofactor-soaking difficulties.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H93 D266 R398
Binding residue
(residue number reindexed from 1)		H88 D261 R393
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004497 monooxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:6y1w, PDBe:6y1w, PDBj:6y1w
PDBsum6y1w
PubMed32627741
UniProtB0RXY9

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