Structure of PDB 8ixt Chain A Binding Site BS02

Receptor Information
>8ixt Chain A (length=401) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDKGEFCVIPKMDGQLVEKLGQRLLPWMDRLSSEQLNPSIYVGLRLSSMQ
AGTKENLYLHNLKLHYQQCLLGCQTKISGGSLALYLLALRANCELLGGDR
MVSQLKWFLEDEKKAIGHHHEGHPHTSYYQYGLSILALCVHRKRVHDSVV
GKLLYAVEHDYFTYQGHLSVDTEAMAGLAFTCLERFNFNSDLRPRITTAI
ETVREKILKAQAPEGYFGNIYSTPLALQMLMTSPGVGLGPACLKARKSLL
LSLQDGAFQNPMMISQLLPVLNHKTYLNLISPDCQAPRVMLVPATEDPVH
LSEVSVTLKVSSVLPPYERTVSVFAGASLEDVLNRARDLGEFTYGTQASL
SGPYLTSVLGKEAGDREYWQLLRVPDTPLLQGIADYKPKNGETIELRLVK
M
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain8ixt Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ixt The structure of the rat vitamin B 12 transporter TC and its complex with glutathionylcobalamin.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		S153 Y154 Y190 S195 T198
Binding residue
(residue number reindexed from 1)		S127 Y128 Y164 S169 T172
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0031419 cobalamin binding
GO:0046872 metal ion binding
GO:0140355 cargo receptor ligand activity
Biological Process
GO:0006824 cobalt ion transport
GO:0015889 cobalamin transport
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0009897 external side of plasma membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ixt, PDBe:8ixt, PDBj:8ixt
PDBsum8ixt
PubMed38636663
UniProtQ9R0D6|TCO2_RAT Transcobalamin-2 (Gene Name=Tcn2)

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