Structure of PDB 3e79 Chain A Binding Site BS02

Receptor Information
>3e79 Chain A (length=365) Species: 2100 (Mesomycoplasma hyorhinis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGQWDKSITFGVSEAWLNKKKGGEKVNKEVINTFLENFKKEFNKLKNAND
KTKNFDDVDFKVTPIQDFTVLLNNLSTDNPELDFGINASGKLVEFLKNNP
GIITPALETTTNSFVFDKEKDKFYVDGTDSDPLVKIAKEINKIFVETPYA
SWTDENHKWNGNVYQSVYDPTVQANFYRGMIWIKGNDETLAKIKKAWNDK
DWNTFRNFGILHGKDNSSSKFKLEETILKNHFQNKFTTLNEDRSAHPNAY
KQKSADTLGTLDDFHIAFSEEGSFAWTHNKSATKPFETKANEKMEALIVT
NPIPYDVGVFRKSVNQLEQNLIVQTFINLAKNKQDTYGPLLGYNGYKKID
NFQKEIVEVYEKAIK
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 chain3e79 Chain A Residue 501 [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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PDB3e79 Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W240 N241 K273
Binding residue
(residue number reindexed from 1)		W202 N203 K235
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3e79, PDBe:3e79, PDBj:3e79
PDBsum3e79
PubMed19020356
UniProtP15363|P37_MESHY High affinity transport system protein p37 (Gene Name=p37)

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