PDB ID : 4hfr [A2]

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ARa IRb





 a AR:All Residues
 b IR:Interface Residues

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Secondary Structure


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Chain
Chain name Ribbon Spacefill Cαonly
OLIGAMI PDB
AA
BB
Title
HUMAN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 IN COMPLEX WITH AN ORALLY BIOAVAILABLE ACIDIC INHIBITOR AZD4017.

Structure Summary
PDB ID Mutant OPM Pub Med Method/Resolution HETNAM
4hfr
22691057 X-RAY DIFFRACTION/2.73 14M:{(3S)-1-[5-(CYCLOHEXYLCARBAMOYL)-6-(PROPYLSULFANYL)PYRIDIN-2-YL]PIPERIDIN-3-YL}ACETIC ACID
NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Chain Formula
Amino Acid sequence SCOPe Family Level CATH Homology Level
[A2] [A2] [A2]

Interfaces
Interface ID Chain Inaterface
Class		 Interface Type Contact Type
4hfr_AB A
B		 HN
HN		 i16_CR(H26,N12)_HH(S4)_HN(L2,S5)
i16_CR(H26,N12)_HH(S4)_HN(L2,S5) 		c3_RP(HH43,NN5,HN31,NH32)_HH(P1,A4,S4)_HN(L7,S5)
c3_RP(HH43,NN5,HN31,NH32)_HH(P1,A4,S4)_HN(L7,S5)

Interface Class
Interface ID Interface 1 Interface 2
Domain Number of contact residues Binding site Class Percentages of Secondary structures(%) Domain Number of contact residues Binding site Class Percentages of Secondary structures(%)
H E N H E N
4hfr_AB A 51 HN 62.7 100 37.3 B 50 HN 64 0 36

Interface Type: Information for each interface
Interface ID chain Number of contact residues Number of elements Number of contacts between Secondary structure elements
HH EE HE HN EN
Hn En Nn H E N R L P A S P A S Ph Ah Ih P A S L S L S
4hfr_AB A 32 51 19 6 0 5 0 0 0 0 4 0 0 0 0 0 0 0 0 0 2 9 0 0
4hfr_AB B 32 0 18 6 0 5 0 0 0 0 4 0 0 0 0 0 0 0 0 0 2 8 0 0

Contact Type: Information of contacts between interfaces
Interface ID Number of residue pairs between SS elements Number of contacts between Secondary structure elements
H-H E-E N-N H-E H-N N-E E-H N-H E-N H-H E-E H-E H-N E-N
P A S Ih P A S IPh IAh P A S Ih L S Ih L S Ih
4hfr_AB 49 0 5 0 38 0 0 35 0 0 3 8 0 0 0 0 0 0 0 0 0 0 9 5 0 0 0 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
222558 A:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductases11-beta-hydroxysteroid dehydrogenase 1Human (Homo sapiens) [TaxId: 9606]
222559 B:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductases11-beta-hydroxysteroid dehydrogenase 1Human (Homo sapiens) [TaxId: 9606]

CATH
CATH ID Node Class Architecture Topology Homology
4hfrA003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4hfrB003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain