Structure of PDB 5tt5 Chain A Binding Site BS02

Receptor Information
>5tt5 Chain A (length=581) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MESIEQQLTELRTTLRHHEYLYHVMDAPEIPDAEYDRLMRELRELETKHP
ELITPDSPTQRVGAAPLAAFSQIRHEVPMLSLDNVFDEESFLAFNKRVQD
RLVTWCCELMLDGLAVSILYENGVLVSAATRGDGTTGEDITSNVRTIRAI
PLKLHGENIPARLEVRGEVFLPQAGFEKINEDARRTGGKVFANPRNAAAG
SLRQLDPRITAKRPLTFFCYGVGVLEGGELPDTHLGRLLQFKKWGLPVSD
RVTLCESAEEVLAFYHKVEEDRPTLGFDIDGVVIKVNSLAQQEQLGFVAR
APRWAVAFKFPAQEQMTFVRDVEFQVGRTGAITPVARLEPVHVAGVLVSN
ATLHNADEIERLGLRIGDKVVIRRAGDVIPQVVNVVLSERPEDTREVVFP
THCPVCGSDVERVEGEAVARCTGGLICGAQRKESLKHFVSRRAMDVDGMG
DKIIDQLVEKEYVHTPADLFKLTAGKLTGLERMGPKSAQNVVNALEKAKE
TTFARFLYALGIREVGEATAAGLAAYFGTLEALEAASIEELQKVPDVGIV
VASHVHNFFAEESNRNVISELLAEGVHWPAP
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 chain5tt5 Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tt5 Two-metal versus one-metal mechanisms of lysine adenylylation by ATP-dependent and NAD(+)-dependent polynucleotide ligases.
Resolution1.552 Å
Binding residue
(original residue number in PDB)		C408 C411 C426 C432
Binding residue
(residue number reindexed from 1)		C403 C406 C421 C427
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E113 M115 D117 Y225 K314 C408 C411 T427 C432
Catalytic site (residue number reindexed from 1) E108 M110 D112 Y220 K309 C403 C406 T422 C427
Enzyme Commision number 6.5.1.2: DNA ligase (NAD(+)).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003911 DNA ligase (NAD+) activity
GO:0005515 protein binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
GO:0070403 NAD+ binding
Biological Process
GO:0006259 DNA metabolic process
GO:0006260 DNA replication
GO:0006266 DNA ligation
GO:0006281 DNA repair
GO:0006288 base-excision repair, DNA ligation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5tt5, PDBe:5tt5, PDBj:5tt5
PDBsum5tt5
PubMed28223499
UniProtP15042|DNLJ_ECOLI DNA ligase (Gene Name=ligA)

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