Structure of PDB 7vhv Chain A Binding Site BS01

Receptor Information
>7vhv Chain A (length=485) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTDIINKLQAFADANPQSIAVRHTTDELTYQQLMDESSKLAHRLQGSKKP
MILFGHMSPYMIVGMIGAIKAGCGYVPVDTSIPEDRIKMIINKVQPEFVF
NTTDESFESLEGEVFTIEDIKTSQDPVIFDSQIKDNDTVYTIFTSGSTGE
PKGVQIEYASLVQFTEWMLELNKSGNKQQWLNQAPFSFDLSVMAIYPCLA
SGGTLNLVDKNMINKPKLLNEMLTATPINIWVSTPSFMEMCLLLPTLNEE
QYGSLNEFFFCGEILPHRAAKALVSRFPSATIYNTYGPTEATVAVTSIQI
TQEILDQYPTLPVGVERLGARLSTTDDGELVIEGQSVSLGYLKNDQKTAE
VFNFDDGIRTYHTGDKAKFENGQWFIQGRIDFQIKLNGYRMELEEIETQL
RQSEFVKEAIVVPVYKNDKVIHLIGAIVPTTEVTDNAEMTKNIKNDLKSR
LPEYMIPRKFEWMEQLPLTSNGKIDRKKIAEVING
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7vhv Chain A Residue 502 [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]
PDB7vhv Structural and functional analysis of the D-alanyl carrier protein ligase DltA from Staphylococcus aureus Mu50.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		T144 S145 G146 S147 T148 K152 G262 E263 I264 T285 Y286 G287 T289 D365 R379 K473
Binding residue
(residue number reindexed from 1)		T144 S145 G146 S147 T148 K152 G262 E263 I264 T285 Y286 G287 T289 D365 R379 K473
Annotation score5
Enzymatic activity
Enzyme Commision number 6.2.1.54: D-alanine--[D-alanyl-carrier protein] ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0047473 D-alanine [D-alanyl carrier protein] ligase activity
Biological Process
GO:0070395 lipoteichoic acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7vhv, PDBe:7vhv, PDBj:7vhv
PDBsum7vhv
PubMed35362466
UniProtP68876|DLTA_STAAM D-alanine--D-alanyl carrier protein ligase (Gene Name=dltA)

[Back to BioLiP]