Structure of PDB 7lgm Chain A Binding Site BS01

Receptor Information
>7lgm Chain A (length=719) Species: 62977 (Acinetobacter baylyi ADP1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIISTSVYVGPNVYASIPLIRLVIDLNPHYITQLASMGSEVLENLEKVIP
TLKTEQDAKLQHKLEELRQAPQQQIGELVAILALHLQRLAGQKGGAAFSA
YCHEDETEILYSYESEEIGIEAGEVVCDMLVALAKAHEAGDQIDLNRDVK
GFLRYADRFALGPSALALVQAAEERNIPWYRLNDASLIQVGQGKYQKRIE
AALTSGTSHIAVEIAGDKNVCNQLLQDLGLPVPKQRVVYDIDDAVRAARR
VGFPVVLKPLDGNHGRGVSVNLTTDEAVEAAFDIAMSEGSAVIVESMLYG
DDHRLLVVNGELVAAARRVPGHIVGDGKHNVEALIEIVNQDPRRGVGHEN
MLTKIELDEQALKLLAEKGYDKDSIPAKDEVVYLRRTANISTGGTAIDVT
DTIHPENKLMAERAIRAVGLDIGAVDFLTTDITKSYRDIGGGICEVNAGP
GLRMHISPSEGPSRDVGGKIMDMLFPQGSQSRVPIAAITGTNGKTTCSRM
LAHILKMAGHVVGQTSTDAVYIDGNVTVKGDMTGPVSAKMVLRDPSVDIA
VLETARGGIVRSGLGYQFCDVGAVLNVSSDHLGLGGVDTLDGLAEVKRVI
AEVTKDTVVLNADNAYTLKMAGHSPAKHIMYVTRDAENKLVREHIRLGKR
AVVLEKGLNGDQIVIYENGTQIPLIWTHLIPATLEGKAIHNVENAMFAAG
MAYALGKNLDQIRIGLRTF
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 chain7lgm Chain A Residue 1001 [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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PDB7lgm Structures and function of the amino acid polymerase cyanophycin synthetase.
Resolution4.4 Å
Binding residue
(original residue number in PDB)		V257 R267 M298 L299 D303 L429
Binding residue
(residue number reindexed from 1)		V256 R266 M297 L298 D302 L428
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.2.29: cyanophycin synthase (L-aspartate-adding).
6.3.2.30: cyanophycin synthase (L-arginine-adding).
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
GO:0071160 cyanophycin synthetase activity (L-aspartate-adding)
GO:0071161 cyanophycin synthetase activity (L-arginine-adding)
Biological Process
GO:0009058 biosynthetic process
GO:0009059 macromolecule biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7lgm, PDBe:7lgm, PDBj:7lgm
PDBsum7lgm
PubMed34385683
UniProtQ6FCQ7

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