Structure of PDB 7l7z Chain AAA Binding Site BS02

Receptor Information
>7l7z Chain AAA (length=216) Species: 335284 (Psychrobacter cryohalolentis K5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKVFAVYGASGCGRSLMPVANEQLRILEGDTDSQIVFIDDALDDNITVNG
YTAMNYTKFKSIKNDDKFVLIAIANSSIRQKIADKLVKDGISLWTVQGMT
TLIMDEVSIDAGAALSPFVTIAANVTIGKCFHANLYSYVEHDCIIGDYVT
FAPRVSCNGNIHIHDHAYIGTGAVIKQGTPDKPLIIGKGAIVGMGAVVTK
EVPAGAVVIGNPARLL
Ligand information
Ligand IDXQA
InChIInChI=1S/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10-,12-,13-,14-,15+,16-,17-,18-/m1/s1
InChIKeyKCAODEOZHCZEBC-TUHJILAWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[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@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C
CACTVS 3.385C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(C)=O
CACTVS 3.385C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)[CH]1NC(C)=O
ACDLabs 12.01O=C(NC3C(C)OC(OP(O)(=O)OP(OCC1OC(C(C1O)O)N2C(=O)NC(C=C2)=O)(=O)O)C(C3O)NC(C)=O)C
OpenEye OEToolkits 2.0.7CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C
FormulaC19 H30 N4 O16 P2
NameUDP-di-N-acetyl-alpha-bacillosamine
ChEMBL
DrugBank
ZINCZINC000087529818
PDB chain7l7z Chain AAA Residue 302 [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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PDB7l7z Characterization of two enzymes from Psychrobacter cryohalolentis that are required for the biosynthesis of an unusual diacetamido-d-sugar.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		S11 C13 D40 D41 I74 A75
Binding residue
(residue number reindexed from 1)		S10 C12 D39 D40 I73 A74
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:7l7z, PDBe:7l7z, PDBj:7l7z
PDBsum7l7z
PubMed33639157
UniProtQ1QD33

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