Structure of PDB 4ryc Chain A

Receptor sequence
>4rycA (length=336) Species: 9606 (Homo sapiens) [Search protein sequence]
TLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKC
SRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGG
ITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQG
VLKEDVFSFYYNRDSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQ
MKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFD
YVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMD
IPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB4ryc trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: Prime site exploration using an amino linker.
ChainA
Resolution2.45 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D32 S35 N37 W39 Y75 D215 A218
Catalytic site (residue number reindexed from 1) D37 S40 N42 W44 Y82 D222 A225
Enzyme Commision number 3.4.23.15: renin.
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 3ZK A T12 Q13 V30 D32 G34 Y75 S76 T77 P111 L114 A115 F117 Q128 L213 D215 G217 A218 T17 Q18 V35 D37 G39 Y82 S83 T84 P117 L120 A121 F123 Q134 L220 D222 G224 A225 MOAD: ic50=0.08uM
PDBbind-CN: -logKd/Ki=7.10,IC50=80nM
BindingDB: IC50=80nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:4ryc, PDBe:4ryc, PDBj:4ryc
PDBsum4ryc
PubMed25782742
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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