Structure of PDB 5i5m Chain B Binding Site BS01

Receptor Information
>5i5m Chain B (length=576) Species: 318161 (Shewanella denitrificans OS217) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASAVVHPGELDEYYGFWSGGHSGEVRILGIPSMRELMRIPVFNIDSATGW
GITNESKRIKGDSAHLMTGDSHHPHMSMTDGSYNGKYVFINDKANSRVAR
IRCDVMKTDKMITIPNVQAIHGLRVQKVPYTKYVICNGEFEIPMNNDGKA
SLEDVSTYRSLFNVIDAEKMEVAFQVMVDGNLDNTDADYDGKYFFSTCYN
SEMGMNLGEMITAERDHVVVFSLERCLAALKAGKFTNYNGNKVPVLDGRK
GSDLTRYIPVPKSPHGINTAPDGKYFVANGKLSPTVSVVEIARLDDVFSG
KIQPRDAIVAEPELGLGPLHTAFDNKGNAFTTLFLDSQIAKWNIQDAIKA
YNGEKVNYLRQKLDVHYQPGHNHTSQGETRDTDGKWLVVLCKFSKDRFLP
VGPLRPENDQLIDISGDEMKLVHDGPTFAEPHDCMIVHRSKVKPQKLWTR
DDPMFADTVAMAKQDGVTLEMDNKVIRDGNKVRVYMTSIAPNFGMNEFKV
KLGDEVTVVVTNLDQVEDVTHGFCMTNHGVQMEVAPQATASVTFIANKPG
VQWYYCNWFCHALHMEMRGRMLVEAL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5i5m Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5i5m Role of Calcium in Secondary Structure Stabilization during Maturation of Nitrous Oxide Reductase.
Resolution1.37 Å
Binding residue
(original residue number in PDB)		Y252 E255 M263 D269 S316
Binding residue
(residue number reindexed from 1)		Y199 E202 M210 D216 S263
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I542 P544
Catalytic site (residue number reindexed from 1) I489 P491
Enzyme Commision number 1.7.2.4: nitrous-oxide reductase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050304 nitrous-oxide reductase activity
Biological Process
GO:0019333 denitrification pathway
GO:1902600 proton transmembrane transport
Cellular Component
GO:0016020 membrane
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:5i5m, PDBe:5i5m, PDBj:5i5m
PDBsum5i5m
PubMed26885878
UniProtQ12M27

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