Structure of PDB 8fxi Chain C Binding Site BS03

Receptor Information
>8fxi Chain C (length=630) Species: 1807358 (Stanieria sp. NIES-3757) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEPVRINARTTDVFDIFNVKQYVGANPYLNQAALVFDFAFTESYQPLPIE
NYLAVVGDRYPRLKEIEYQSYAELFASTVAEVNKLEMDLHLKGWNVKPIE
EINRIAIESLHHRTTKEVVYCVWDWFEFITQGEEFDLSKQIAILQQLFRN
SVYGGPTVYALLRTANEKHIPAFYLWDEGLMQYGYGKQQVRGIATTFDVD
SHIDSDFTTQKDDCKKFLQELGFPVPQGDVVFSLAEAKEVAAEIGYPVAV
KPVAGHKGIGVTADVQDEIELEAAYDRAVAGIPLEEKICIIVENSIAGHD
YRLLCVNGRFVAATERKPAYVVGDGYSTIAELIEKENFSPNRSDTPTSPM
GKIRTDEAMHLYLEEQGLDLDSVIDRDRTIYLRKVANLSSGGFSIDATNR
VHPDNIILAQDIAQHFRLTCLGIDIITNDIGRSWKETSFGIIEINAAPGV
YMHLKPAIGEPVDVTARILETFFETEKNARIPIITFNRVSIRQLQKLSDR
ILMSHPDWTIGAVCREGILINRSEKILNRHYNTNVLNLLRNPKLDLLIAE
YDEDALEAEGMFYHGSNLVVLEDPSEIEMILTRDVFSDSTVIIKQGREIT
IKRKGLLEQYELEAEELIEQVYLKEIGTIS
Ligand information
Ligand IDYHZ
InChIInChI=1S/C11H21N4O12P3/c12-11-6(1-13-4-15-11)14-2-7-9(16)10(17)8(26-7)3-25-30(23,24)27-29(21,22)5-28(18,19)20/h1,4,7-10,14,16-17H,2-3,5H2,(H,21,22)(H,23,24)(H2,12,13,15)(H2,18,19,20)/t7-,8+,9-,10+/m0/s1
InChIKeyKVTJTUTWTFKEKT-QCLAVDOMSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC1OC(CNc2cncnc2N)C(O)C1O
OpenEye OEToolkits 2.0.7c1c(c(ncn1)N)NC[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O
OpenEye OEToolkits 2.0.7c1c(c(ncn1)N)NCC2C(C(C(O2)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O
CACTVS 3.385Nc1ncncc1NC[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]2O
CACTVS 3.385Nc1ncncc1NC[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]2O
FormulaC11 H21 N4 O12 P3
Name1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol
ChEMBL
DrugBank
ZINC
PDB chain8fxi Chain C Residue 701 [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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PDB8fxi Structure and function of a hexameric cyanophycin synthetase 2.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I302 I432 E449
Binding residue
(residue number reindexed from 1)		I296 I426 E443
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0018169 ribosomal S6-glutamic acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0009432 SOS response
GO:0018410 C-terminal protein amino acid modification
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fxi, PDBe:8fxi, PDBj:8fxi
PDBsum8fxi
PubMed37222490
UniProtA0A140K0M0

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