Structure of PDB 6vvh Chain BBB Binding Site BS02

Receptor Information
>6vvh Chain BBB (length=313) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDKNRTNTDDIRSLRVITAIKTPYLPDGRFDLQAYDDLVNTQIENGAEGV
IVGGTTGEGQLMSWDEHIMLIGHTVNCFGGRIKVIGNTGSNSTREAIHAT
EQGFAMGMHGALHINPYYGKTSIEGMNAHFQTVLHMGPTIIYNVPGRTCQ
DIPPQVIFKLSQNPNMAGVKECVGNNRVEEYTEKGIVVWSGNDDQCHDSR
WDHGATGVISVTSNLVPGLMRKLMFEGRNSALNAKLLPLMDWLFQEPNPI
GVNTALAQLGVARPVFRLPYVPLPLSKRIEFVKLVKEIGREHFVGDRDVQ
VLDDDDFILIGRY
Ligand information
Ligand IDLYS
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain6vvh Chain BBB Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vvh Differential lysine-mediated allosteric regulation of plant dihydrodipicolinate synthase isoforms.
Resolution1.792 Å
Binding residue
(original residue number in PDB)		G111 Q112 M114 W116 H119 Y169
Binding residue
(residue number reindexed from 1)		G59 Q60 M62 W64 H67 Y117
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) T107 Y170 Y194 R199 K222 I261
Catalytic site (residue number reindexed from 1) T55 Y118 Y142 R147 K170 I209
Enzyme Commision number 4.3.3.7: 4-hydroxy-tetrahydrodipicolinate synthase.
Gene Ontology
Molecular Function
GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
GO:0016829 lyase activity
Biological Process
GO:0009089 lysine biosynthetic process via diaminopimelate

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6vvh, PDBe:6vvh, PDBj:6vvh
PDBsum6vvh
PubMed33586321
UniProtQ9LZX6|DAPA1_ARATH 4-hydroxy-tetrahydrodipicolinate synthase 1, chloroplastic (Gene Name=DHDPS1)

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