Structure of PDB 5i5m Chain B Binding Site BS02

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 IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain5i5m Chain B Residue 1002 [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)		S130 E221
Binding residue
(residue number reindexed from 1)		S77 E168
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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