Structure of PDB 8ki0 Chain B Binding Site BS02

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 B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		H32 P34 V37 T43 P50 F51 Y75 F78 H83 L85 R128 H133 V136 Y137 M140
Binding residue
(residue number reindexed from 1)		H31 P33 V36 T42 P49 F50 Y74 F77 H82 L84 R127 H132 V135 Y136 M139
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links