Structure of PDB 4q6r Chain A

Receptor sequence
>4q6rA (length=443) Species: 9606 (Homo sapiens) [Search protein sequence]
EYVKALPSQGLSSSAVLEKLKEYSSMDAFWQEGRASGTVYSGEEKLTELL
VKAYGDFAWSNPLHPDIFPGLRKIEAEIVRIACSLFNGGPDSCGCVTSGG
TESILMACKAYRDLAFEKGIKTPEIVAPQSAHAAFNKAASYFGMKIVRVP
LTKMMEVDVRAMRRAISRNTAMLVCSTPQFPHGVIDPVPEVAKLAVKYKI
PLHVDACLGGFLIVFMEKAGYPLEHPFDFRVKGVTSISADTHKYGYAPKG
SSLVLYSDKKYRNYQFFVDTDWQGGIYASPTIAGSRPGGISAACWAALMH
FGENGYVEATKQIIKTARFLKSELENIKGIFVFGNPQLSVIALGSRDFDI
YRLSNLMTAKGWNLNQLQFPPSIHFCITLLHARKRVAIQFLKDIRESVTQ
IMKNPKAKTTGMGAIYGMAQTTVDRNMVAELSSVFLDSLYSTD
3D structure
PDB4q6r Orally Active 7-Substituted (4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as Active-Site Inhibitors of Sphingosine 1-Phosphate Lyase for the Treatment of Multiple Sclerosis.
ChainA
Resolution2.4 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 4.1.2.27: sphinganine-1-phosphate aldolase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 30J A L173 I386 Y387 A388 L63 I276 Y277 A278 MOAD: ic50=0.21uM
PDBbind-CN: -logKd/Ki=6.68,IC50=0.21uM
BindingDB: IC50=210nM
BS02 30J A V538 L541 S542 F545 V428 L431 S432 F435 MOAD: ic50=0.21uM
PDBbind-CN: -logKd/Ki=6.68,IC50=0.21uM
BindingDB: IC50=210nM
Gene Ontology
Molecular Function
GO:0016830 carbon-carbon lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0019752 carboxylic acid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4q6r, PDBe:4q6r, PDBj:4q6r
PDBsum4q6r
PubMed24809814
UniProtO95470|SGPL1_HUMAN Sphingosine-1-phosphate lyase 1 (Gene Name=SGPL1)

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