Structure of PDB 4n5s Chain A Binding Site BS04

Receptor Information
>4n5s Chain A (length=542) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPKALEEAPWPPPEGAFVGFVLSRKEPMWADLLALAAARGGRVHRAPEPY
KALRDLKEARGLLAKDLSVLALREGLGLPPGDDPMLLAYLLDPSNTTPEG
VARRYGGEWTEEAGERAALSERLFANLWGRLEGEERLLWLYREVERPLSA
VLAHMEATGVRLDVAYLRALSLEVAEEIARLEAEVFRLAGHPFNLNSRDQ
LERVLFDELGLPAIGKTEKTGKRSTSAAVLEALREAHPIVEKILQYRELT
KLKSTYIDPLPDLIHPRTGRLHTRFNQTATATGRLSSSDPNLQNIPVRTP
LGQRIRRAFIAEEGWLLVALDYSQIELRVLAHLSGDENLIRVFQEGRDIH
TETASWMFGVPREAVDPLMRRAAKTINFGVLYGMSAHRLSQELAIPYEEA
QAFIERYFQSFPKVRAWLEKTLEEGRRRGYVETLFGRRRYVPDLEARVKS
VREAAERMAFNMPVQGTAADLMKLAMVKLFPRLEEMGARMLLQVHDELVL
EAPKERAEAVARLAKEVMEGVYPLAVPLEVEVGIGEDWLSAK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4n5s Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4n5s A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		D610 Y611 D785
Binding residue
(residue number reindexed from 1)		D321 Y322 D496
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0001882 nucleoside binding
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
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:4n5s, PDBe:4n5s, PDBj:4n5s
PDBsum4n5s
PubMed25537790
UniProtP19821|DPO1_THEAQ DNA polymerase I, thermostable (Gene Name=polA)

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