Structure of PDB 6y1w Chain A Binding Site BS02

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 607 [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)		D266 A268 T291 S295 A296
Binding residue
(residue number reindexed from 1)		D261 A263 T286 S290 A291
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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