Structure of PDB 6zti Chain C Binding Site BS03

Receptor Information
>6zti Chain C (length=464) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMIVIFVHGWSVTHTNTYGELPQWLENQSKQGKLDIQVGNIYLGRYISFD
DTVTVDDIARAFDQAVRDEIADKLRDGQRFACITHSTGGPIVRKWMDLYF
KNNLAKCPLSHLIMLAPANHGSALAQLGKSRLGEPGKCVLDWLELGSDMS
WQLNESWLDYDCTANGVYSFVLTGQKIDRQFYDAVNSYTGESGSNGVVRV
AATNMNYSLLKLHQEGGESLVVAKMTRTQPMAFGVLPGLSHSGKNIGIIR
SITMANAATHPTAIWILRCLQVKSRDSYNKLVKELDNITKETQKNEHKEF
VKTLVFTREYITNRYSMIIFRLIDDRGNHLIDYDLYLTAGPQYSEQALPA
GFFVDRQRNLNNRGKLTYFLDYDIMEGGINTPKMQGNLGFRVKAYPESSD
QALAYYRLLDFHSSLADIHKILHPNETVMVEIMLQRRVDRTVFRISNNLT
PAKISGKPTGKKID
Ligand information
Ligand IDSND
InChIInChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(40-21)6-38-43(35,36)41-42(33,34)37-5-10-13(29)15(31)20(39-10)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyUQYPZLRUJKCREN-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N
OpenEye OEToolkits 1.7.5c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N
CACTVS 3.385NC(=S)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
CACTVS 3.385NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
FormulaC21 H27 N7 O13 P2 S
NameTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBL
DrugBankDB03893
ZINC
PDB chain6zti Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6zti NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		R130 N194 S195 Y196
Binding residue
(residue number reindexed from 1)		R131 N186 S187 Y188
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:6zti, PDBe:6zti, PDBj:6zti
PDBsum6zti
PubMed34074754
UniProtA0A378K488

[Back to BioLiP]