Structure of PDB 7jh6 Chain D Binding Site BS03

Receptor Information
>7jh6 Chain D (length=174) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYLRELLKLELQAIKQYEKLRQTGDELVQAFQRLREIFDKGDDDSLEQVL
EEIEELIQKHRQLASELPKLELQAIKQYREALEYVKLPVLAKILEDEEKH
IEWLKEAAKQGDQWVQLFQRFREAIDKGDKDSLEQLLEELEQALQKIREL
TEKTGRKILEDEEKHIEWLETILG
Ligand information
Ligand ID7BU
InChIInChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;
InChIKeyHVSFTYLFHSNRAZ-HQJDZOCDSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N51C6=C(C8=N2C(=C(C(F)(F)F)c4ccc3C(C(F)(F)F)=C7N([Zn]12n34)=C(C(=C5C=C6)C(F)(F)F)C=C7)C=C8)C(F)(F)F
OpenEye OEToolkits 2.0.6c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F
CACTVS 3.385FC(F)(F)C1=C2C=CC3=C(C4=NC(=C(c5ccc(n5[Zn]N23)C(=C6C=CC1=N6)C(F)(F)F)C(F)(F)F)C=C4)C(F)(F)F
FormulaC24 H8 F12 N4 Zn
Name[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc;
[5,10,15,20-Tetrakis(trifluoromethyl)porphinato]zinc(II)
ChEMBL
DrugBank
ZINC
PDB chain7jh6 Chain D Residue 203 [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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PDB7jh6 Allosteric cooperation in a de novo-designed two-domain protein.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		L23 R24 G27 L30 V31 H63 R64 A67 L107 G114 I150
Binding residue
(residue number reindexed from 1)		L20 R21 G24 L27 V28 H60 R61 A64 L104 G111 I147
Annotation score1
External links