Structure of PDB 5x4k Chain A Binding Site BS03

Receptor Information
>5x4k Chain A (length=471) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMDKEGFLNKVREAVDVVKLHIELGHTIRIISHRDADGITSAAILAKAL
GREGASFHISIVKQVSEDLLRELKDEDYKIFIFSALGSGSLSLIKEYLKE
KTVIILDHHPPENVKLEEKHILVNPVQFGANSVRDLSGSGVTYFFARELN
EKNRDLAYIAIVGAVGDMQENDGVFHGMNLDIIEDGKSLGILEVKKELRL
FGRETRPLYQMLAYATNPEIPEVTGDERKAIEWLKNKGFNPEKKYWELSE
EEKKKLHDFLIIHMIKHGAGKEDIDRLIGDVVISPLYPEGDPRHEAREFA
TLLNATGRLNLGNLGVAVCLGDEEAFRKALKMVEDYKREQIEARKWLLQN
WNSEVWEGDHVYVLYVGKSIRDTLVGIAASMAINAGLADPEKPVIVFADT
DEDPNLLKGSARTTERALAKGYNLGEALRKAAELVNGEGGGHAIAAGIRI
PRARLAEFRKLIDKILGEQVS
Ligand information
Ligand IDC5P
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyIERHLVCPSMICTF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
FormulaC9 H14 N3 O8 P
NameCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL307679
DrugBankDB03403
ZINCZINC000003861744
PDB chain5x4k Chain A Residue 504 [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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PDB5x4k The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Resolution1.749 Å
Binding residue
(original residue number in PDB)		H107 K406 S408 R410 G437 G438 G439 A444 G445
Binding residue
(residue number reindexed from 1)		H109 K408 S410 R412 G439 G440 G441 A446 G447
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004527 exonuclease activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5x4k, PDBe:5x4k, PDBj:5x4k
PDBsum5x4k
PubMed30053256
UniProtQ8TZE0

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