Structure of PDB 5x4k Chain A Binding Site BS04

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 505 [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)		H32 H106 H107 D165 M166 N169 R410 H440 I442 A443
Binding residue
(residue number reindexed from 1)		H34 H108 H109 D167 M168 N171 R412 H442 I444 A445
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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