PDB ID : 2irw [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 11-BETA-HYDROXYSTEROID DEHYDROGENASE (HSD1) WITH NADP AND ADAMANTANE ETHER INHIBITOR

Structure Summary
PDB ID Mutant OPM Pub Med Method/Resolution HETNAM
2irw
17110106 X-RAY DIFFRACTION/3.1 NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NN4:(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE
Chain Formula
Amino Acid sequence SCOPe Family Level CATH Homology Level
[A2] [A2] [A2]

Interfaces
Interface ID Chain Inaterface
Class		 Interface Type Contact Type
2irw_AB A
B		 HN
HN		 i7_CR(H35,N24)_HH(A1,S4)_HN(L3,S9)
i7_CR(H35,N24)_HH(A1,S4)_HN(L3,S9) 		c4_RP(HH52,NN42,HN39,NH36,EN1)_HH(P2,A3,S6)_HN(L8,S9)
c4_RP(HH52,NN42,HN39,NH36,EN1)_HH(P2,A3,S6)_HN(L8,S9)

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
2irw_AB A 64 HN 45.3 100 54.7 B 64 HN 45.3 0 54.7

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
2irw_AB A 29 64 35 6 0 7 0 0 0 0 4 0 0 0 0 0 0 0 0 0 3 10 0 0
2irw_AB B 29 0 35 6 0 7 0 0 0 0 4 0 0 0 0 0 0 0 0 0 3 10 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
2irw_AB 41 0 46 0 37 0 0 36 0 0 1 10 0 0 0 0 0 0 0 0 0 0 12 4 0 0 0 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
137593 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]
137594 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]
137595 C: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]
137596 D: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]
137597 E: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]
137598 F: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]
137599 G: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]
137600 H: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
2irwA003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
2irwB003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
2irwC003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
2irwD003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
2irwE003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
2irwF003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
2irwG003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
2irwH003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain