Structure of PDB 6eg7 Chain A Binding Site BS02

Receptor Information
>6eg7 Chain A (length=279) Species: 1393 (Brevibacillus brevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLVYTHGGKLERKSKKDKTASKVFEEFGVMEAYNCWKEASLCIQQRDKDS
VLKLVAALNTYKDAVEPIFDSRLNSAQEVLQPSILEEFFEYLFSRIDSIV
GVNIPIRHPAKGYLSLSFNPHNIETLIQSPEYTVRAKDHDFIIGGSAKLT
IQGHGGEGETTNIVVPAVAIECKRYLERNMLDECAGTAERLKRATPYCLY
FVVAEYLKLDDGAPELTEIDEIYILRHQRNSERNKPGFKPNPIDGELIWD
LYQEVMNHLGKIWWDPNSALQRGKVFNRP
Ligand information
Ligand IDI3C
InChIInChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChIKeyJEZJSNULLBSYHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O
CACTVS 3.341Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I
ACDLabs 10.04Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
FormulaC8 H4 I3 N O4
Name5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid;
5-Amino-2,4,6-triiodoisophthalic acid
ChEMBL
DrugBank
ZINCZINC000004806327
PDB chain6eg7 Chain A Residue 306 [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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PDB6eg7 Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K15 R18 K19 K22 V85
Binding residue
(residue number reindexed from 1)		K9 R12 K13 K16 V79
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004519 endonuclease activity

View graph for
Molecular Function
External links
PDB RCSB:6eg7, PDBe:6eg7, PDBj:6eg7
PDBsum6eg7
PubMed30395313
UniProtQ5D6Y4

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