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Receptor Information

>8k5o Chain C (length=346) Species: 1052 (Halorhodospira halochloris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

CERPPFEQEQTGPRGTGMYVLDNPRILESRLDLHTAPEARPMASEDGERA
GDVHENVQVLADLSDEQFWRIKEEMTDWVAGDEGCTYCHTDDLASDEKYQ
YRVSRDMIEMTRYLNANWADTHLTHSNEAGVTCYTCHRGEPIPPASWHSE
EESGETRFMTGMGDLQLQNKISSKTAYTAFPRDALDTFLVGHEGELSIVG
EGEGGLRTATTEGVSLREAYEAVGLMMHLSYSLDAGCTLCHNVSRWASWE
DSPKERETAWHGIRMARDINVNWINPLIDEYPEDADVLGPTGDVGKVSCQ
TCHNKERRPLYGEEFLELYPELVGEPDPDFDYLQFGDLGTDLLKGV

Ligand ID

HEC

InChI

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;

InChIKey

HXQIYSLZKNYNMH-LJNAALQVSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0	CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341	C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341	CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C

Formula

C34 H34 Fe N4 O4

Name

HEME C

ChEMBL

DrugBank

ZINC

PDB chain

8k5o Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8k5o Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris.
Resolution	2.42 Å
Binding residue (original residue number in PDB)	L220 S221 I222 V223 M250 L253 S254 C261 C264 H265 W270 A271 R280 A283 W284 R288
Binding residue (residue number reindexed from 1)	L196 S197 I198 V199 M226 L229 S230 C237 C240 H241 W246 A247 R256 A259 W260 R264
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

	Biological Process
GO:0015979	photosynthesis

PDB	RCSB:8k5o, PDBe:8k5o, PDBj:8k5o
PDBsum	8k5o
PubMed	38411333
UniProt	A0A0X8X829

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Structure of PDB 8k5o Chain C Binding Site BS03