Structure of PDB 4x0p Chain A Binding Site BS03

Receptor Information
>4x0p Chain A (length=625) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSIIDVASDQNLFQTFIKEWRCKKRFSISLACEKIRDDTLVVGLAVCWG
GRDAYYFSLLDPSLTLKDRMWYLQSCLRKESDKECSVVIYDFIQSYKILL
LSCGISLEQSYEDPKVACWLLDPDSQEPTLHSIVTSFLPHELPLLEGMET
SQGIQSLGLNAGSEHSGRYRASVESILIFNSMNQLNSLLQKENLQDVFRK
VEMPSQYCLALLELNGIGFSTAECESQKHIMQAKLDAIETQAYQLAGHSF
SFTSSDDIAEVLFLELKLPPQFSTSKDVLNKLKALHPLPGLILEWRRITN
AITKVVFPLQREKCLNPFLGMERIYPVSQSHTATGRITFTEPNIQNVPRD
FEIKMGMPFSISMRHAFVPFPGGSILAADYSQLELRILAHLSHDRRLIQV
LNTGADVFRSIAAEWKMIEPESVGDDLRQQAKQICYGIIYGMGAKSLGEQ
MGIKENDAACYIDSFKSRYTGINQFMTETVKNCKRDGFVQTILGRRRYLP
GIKDNNPYRKAHAERQAINTIVQGSAADIVKIATVNIQKQLETFHSTFKS
HGHREGMLQSDCPIRGGFFILQLHDELLYEVAEEDVVQVAQIVKNEMESA
VKLSVKLKVKVKIGASWGELKDFDV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4x0p Chain A Residue 2603 [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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PDB4x0p Human DNA polymerase theta grasps the primer terminus to mediate DNA repair.
Resolution3.911 Å
Binding residue
(original residue number in PDB)		D2330 Y2331 D2540
Binding residue
(residue number reindexed from 1)		D379 Y380 D575
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.49: RNA-directed DNA polymerase.
2.7.7.7: DNA-directed DNA polymerase.
3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4x0p, PDBe:4x0p, PDBj:4x0p
PDBsum4x0p
PubMed25775267
UniProtO75417|DPOLQ_HUMAN DNA polymerase theta (Gene Name=POLQ)

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