Structure of PDB 1v9p Chain A Binding Site BS01

Receptor Information
>1v9p Chain A (length=584) Species: 276 (Thermus filiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTREEARRRINELRDLIRYHNYRYYVLADPEISDAEYDRLLRELKELEER
FPEFKSPDSPTEQVGARPLEPTFRPVRHPTRMYSLDNAFTYEEVLAFEER
LERALGRKRPFLYTVEHKVDGLSVNLYYEEGVLVFGATRGDGEVGEEVTQ
NLLTIPTIPRRLKGVPDRLEVRGEVYMPIEAFLRLNEELEERGEKVFKNP
RNAAAGSLRQKDPRVTAKRGLRATFYALGLGLEESGLKSQYELLLWLKEK
GFPVEHGYEKALGAEGVEEVYRRFLAQRHALPFEADGVVVKLDDLALWRE
LGYTARAPRFALAYKFPAEEKETRLLDVVFQVGRTGRVTPVGVLEPVFIE
GSEVSRVTLHNESYIEELDIRIGDWVLVHKAGGVIPEVLRVLKERRTGEE
RPIRWPETCPECGHRLVKEGKVHRCPNPLCPAKRFEAIRHYASRKAMDIE
GLGEKLIERLLEKGLVRDVADLYHLRKEDLLGLERMGEKSAQNLLRQIEE
SKHRGLERLLYALGLPGVGEVLARNLARRFGTMDRLLEASLEELLEVEEV
GELTARAILETLKDPAFRDLVRRLKEAGVSMESK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1v9p Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1v9p Crystal structure of NAD(+)-dependent DNA ligase: modular architecture and functional implications.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		C409 C412 C425 C430
Binding residue
(residue number reindexed from 1)		C409 C412 C425 C430
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E116 K118 D120 Y226 K315 C409 C412 C425 C430
Catalytic site (residue number reindexed from 1) E116 K118 D120 Y226 K315 C409 C412 C425 C430
Enzyme Commision number 6.5.1.2: DNA ligase (NAD(+)).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003911 DNA ligase (NAD+) activity
Biological Process
GO:0006260 DNA replication
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:1v9p, PDBe:1v9p, PDBj:1v9p
PDBsum1v9p
PubMed10698952
UniProtQ9ZHI0|DNLJ_THEFI DNA ligase (Gene Name=ligA)

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