Structure of PDB 5lba Chain B Binding Site BS03

Receptor Information
>5lba Chain B (length=434) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPERRVRSTLKKVFGFDSFKTPLQESATMAVVKGNKDVFVCMPTGAGKSL
CYQLPALLAKGITIVVSPLIALIQDQVDHLLTLKVRVSSLNSKLSAQERK
ELLADLEREKPQTKILYITPEMAASSSFQPTLNSLVSRHLLSYLVVDEAH
CVSQWGHDFRPDYLRLGALRSRLGHAPCVALTATATPQVQEDVFAALHLK
KPVAIFKTPCFRANLFYDVQFKELISDPYGNLKDFCLKALGQLSGCGIVY
CRTREACEQLAIELSCRGVNAKAYHAGLKASERTLVQNDWMEEKVPVIVA
TISFGDKANVRFVAHWNIAKSMAGYYQESGRAGRDGKPSWCRLYYSRNDR
DQVSFLIRKEVAKLQEKRGNKASDKATIMAFDALVTFCEELGCRHAAIAK
YFGDALPACAKGCDHCQNPTAVRRRLEALERSSS
Ligand information
Ligand ID6SV
InChIInChI=1S/C12H22N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14,15)/t11-/m1/s1
InChIKeyRYUZWZOTJULRNS-LLVKDONJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5C1CCC(CC1)NC(=O)NC[C@H]2CCCO2
OpenEye OEToolkits 2.0.5C1CCC(CC1)NC(=O)NCC2CCCO2
CACTVS 3.385O=C(NC[CH]1CCCO1)NC2CCCCC2
CACTVS 3.385O=C(NC[C@H]1CCCO1)NC2CCCCC2
FormulaC12 H22 N2 O2
Name1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea
ChEMBL
DrugBank
ZINCZINC000000046867
PDB chain5lba Chain B 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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PDB5lba Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
Resolution2.5 Å
Binding residue
(original residue number in PDB)		A193 T194 A195 Y344 Q345 F420
Binding residue
(residue number reindexed from 1)		A183 T184 A185 Y326 Q327 F402
Annotation score1
Enzymatic activity
Enzyme Commision number 5.6.2.4: DNA 3'-5' helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004386 helicase activity
GO:0005524 ATP binding
Biological Process
GO:0006310 DNA recombination

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Molecular Function
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Biological Process
External links
PDB RCSB:5lba, PDBe:5lba, PDBj:5lba
PDBsum5lba
PubMed
UniProtO94762|RECQ5_HUMAN ATP-dependent DNA helicase Q5 (Gene Name=RECQL5)

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