Structure of PDB 2zoo Chain A Binding Site BS03

Receptor Information
>2zoo Chain A (length=438) Species: 326442 (Pseudoalteromonas translucida TAC125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKTEQAILTPPPMVPPAINRDHSAKVVINLETREQVGRIADGVEYVFWSF
GETVPGSFIRVREGDEIEFNLSNHPSSKMPHNIDLHAVTGPGGGAESSFT
APGHTSTFNFKALNPGLYIYHCATAPVGMHIANGMYGLILVEPKEGLAPV
DREYYLVQGDFYTKGEFGEAGLQPFDMAKAIDEDADYVVFNGSVGSTTDE
NSLTAKVGETVRLYIGNGGPNLVSSFHVIGEIFDTVYVEGGSLKNHNVQT
TLIPAGGAAIVEFKVEVPGTFILVDHSIFRAFNKGALAMLKVEGPDDHSI
FTGKTAENVYLPEGSAIQSLDNTFTKITANNKDEQIRFGQRVYEANCMAC
HQANGEGIPGAFPPLAKSDYLNNNPLLGVNAIIKGLSGPIKVNNVNYNGV
MPAMNLNDEDIANVITFVLNNWDNAGGKVSAEQVAKQR
Ligand information
Ligand IDHEM
InChIInChI=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,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain2zoo Chain A Residue 600 [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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PDB2zoo Electron transfer processes within and between proteins containing the HEME C and blue Cu
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C350 C353 H354 F365 P366 P367 L368 S371 Y373 I385 L389 S390 G391 I393 V395 Y400 N401 G402 V403 M404
Binding residue
(residue number reindexed from 1)		C347 C350 H351 F362 P363 P364 L365 S368 Y370 I382 L386 S387 G388 I390 V392 Y397 N398 G399 V400 M401
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H84 D87 H89 H124 C125 H133 M138 H230 Q252 T253 H279
Catalytic site (residue number reindexed from 1) H81 D84 H86 H121 C122 H130 M135 H227 Q249 T250 H276
Enzyme Commision number 1.7.2.1: nitrite reductase (NO-forming).
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0050421 nitrite reductase (NO-forming) activity
Biological Process
GO:0019333 denitrification pathway
GO:0042128 nitrate assimilation
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2zoo, PDBe:2zoo, PDBj:2zoo
PDBsum2zoo
PubMed
UniProtQ3IGF7

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