Structure of PDB 8ki0 Chain B Binding Site BS01

Receptor Information
>8ki0 Chain B (length=179) Species: 220664 (Pseudomonas protegens Pf-5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SISISYSATYGGNTVAQYLTDWSAYFGDVNHRPGEVVDGTNTGGFNPGPF
DGTQYAIKSTASDAAFVADGNLHYTLFSNPSHTLWGSVDTISLGDTLAGG
SGSNYNLVSQEVSFTNLGLNSLKEEGRAGEVHKVVYGLMSGDSSALAGEI
DALLKAIDPSLSVNSTFDDLAAAGVAHVN
Ligand information
Ligand IDMQP
InChIInChI=1S/C44H28N4.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyZWYCMWUUWAFXIA-DAJBKUBHSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1c(cccc1)C3=C2N5C(C=C2)=C(C%11=N7C(=C(c9n6c(C(=C4N(=C3C=C4)[Fe]567)c8ccccc8)cc9)c%10ccccc%10)C=C%11)c%12ccccc%12
OpenEye OEToolkits 2.0.6c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1
CACTVS 3.385[Fe]1N2C3=C(c4ccccc4)C5=NC(=C(c6ccccc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccccc9)c%10ccccc%10)C=C5
FormulaC44 H28 Fe N4
Name[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron;
Fe-5,10,15,20-Tetraphenylporphyrin
ChEMBL
DrugBank
ZINC
PDB chain8ki0 Chain A Residue 201 [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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PDB8ki0 Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom
Resolution1.45 Å
Binding residue
(original residue number in PDB)		P50 F51
Binding residue
(residue number reindexed from 1)		P49 F50
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links