Structure of PDB 5nv9 Chain A Binding Site BS03

Receptor Information
>5nv9 Chain A (length=480) Species: 529507 (Proteus mirabilis HI4320) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFGFINYAVLFGYLAAMLLVGVYFSKRQKTADDYFRGGGRVPGWAAGVSV
FATTLSSITFMSIPAKAYTSDWTFIIGQYLAIAILPLVFYFYIPFFRKLK
ITSAYEYLEARFDVRSRLFASLSFMLFHIGRVAIITYLTVLALRPFMGID
PVVLIVLISLLCIIYTWMGGIEGVIWTDVIQGLLLSGGAVLIFIMICFKV
DGGISEIFTTTAQADKFFPTTQWRWSWTDSTIPVLMIGFLFANIQQFTAS
QDVVQRYIVTDSIKETKRTLITNAKLVAIIPIFFFAIGSALFVYYQQNPS
LLPAGFNTGGILPLFIVTEMPIGIAGLIIAAIFAAAQSSISSSLNSISSC
FNSDIYTRLSKSSPSPEQKMKVAKLVIIVAGIFSSLAAIWLVLSDWDAFN
SLIGLMGGPMTGLFMLGIFVKRANAGSAVVGIIVSIIAVLAARYGSDLNF
FFYGVIGSMSVVIAGTITAPLFAPAKQLSL
Ligand information
Ligand IDSLB
InChIInChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
InChIKeySQVRNKJHWKZAKO-PFQGKNLYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
CACTVS 3.341CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
FormulaC11 H19 N O9
NameN-acetyl-beta-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
O-sialic acid;
5-N-ACETYL-BETA-D-NEURAMINIC ACID;
BETA-SIALIC ACID
ChEMBLCHEMBL165084
DrugBankDB04265
ZINCZINC000003793840
PDB chain5nv9 Chain A Residue 503 [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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PDB5nv9 Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		T58 S60 I62 T63 G81 Q82 R135 F243
Binding residue
(residue number reindexed from 1)		T54 S56 I58 T59 G77 Q78 R131 F239
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015293 symporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006814 sodium ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5nv9, PDBe:5nv9, PDBj:5nv9
PDBsum5nv9
PubMed29717135
UniProtB4EZY7|SIAT_PROMH Sodium/sialic acid symporter SiaT (Gene Name=siaT)

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