Structure of PDB 5ktd Chain A Binding Site BS01

Receptor Information
>5ktd Chain A (length=187) Species: 106654 (Acinetobacter nosocomialis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNFNLKANTTYLRLVEENDAEFICTLRNNDKLNTYISKSTGDIKSQAEWI
RNYKNRENNGEEYYFIIFRSDDQSPIGTVRLYDFHENPKSFCWGSWILNE
HKTKYAAVESALLVYEAGFSTLGFEQSHFEVMKGNDKVHSFHLKMGAQKI
SEDDENIYYIFPKSKYKENKIQYARFLGKLEHHHHHH
Ligand information
Ligand IDQUH
InChIInChI=1S/C20H33N3O16P2/c1-8-6-23(20(30)22-18(8)29)14-5-11(25)12(37-14)7-35-40(31,32)39-41(33,34)38-19-17(28)15(16(27)10(3)36-19)21-13(26)4-9(2)24/h6,9-12,14-17,19,24-25,27-28H,4-5,7H2,1-3H3,(H,21,26)(H,31,32)(H,33,34)(H,22,29,30)/t9-,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1
InChIKeySFDGKYQEVYNQBU-VTFQMSFESA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](O)CC(=O)N[C@H]1[C@H](O)[C@@H](C)O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@@H]1O
OpenEye OEToolkits 2.0.5CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)CC(C)O)O
CACTVS 3.385C[CH](O)CC(=O)N[CH]1[CH](O)[CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O
OpenEye OEToolkits 2.0.5C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O
FormulaC20 H33 N3 O16 P2
Name
ChEMBL
DrugBank
ZINCZINC000584905662
PDB chain5ktd Chain A Residue 202 [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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PDB5ktd Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R28 Y36 S38 S40 Q47 W50 Y65 R81 Y83 W94 G95 S96 W97 F130 E131 H143
Binding residue
(residue number reindexed from 1)		R27 Y35 S37 S39 Q46 W49 Y64 R80 Y82 W93 G94 S95 W96 F129 E130 H142
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5ktd, PDBe:5ktd, PDBj:5ktd
PDBsum5ktd
PubMed27404806
UniProtV5RDR9

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