PDB ID : 4k26 [A2]

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 a AR:All Residues
 b IR:Interface Residues

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Secondary Structure


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Slab plane

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Chain
Chain name Ribbon Spacefill Cαonly
OLIGAMI PDB
AA
BB
Title
4,4-DIOXO-5,6-DIHYDRO-[1,4,3]OXATHIAZINES, A NOVEL CLASS OF 11 -HSD1 INHIBITORS FOR THE TREATMENT OF DIABETES

Structure Summary
PDB ID Mutant OPM Pub Med Method/Resolution HETNAM
4k26
23845218 X-RAY DIFFRACTION/2.21 NDP:NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDEPHOSPHATE
SFF:(4AS,8AR)-N-CYCLOHEXYL-4A,5,6,7,8,8A-HEXAHYDRO-4,1,2-BENZOXATHIAZIN-3-AMINE 1,1-DIOXIDE
SO4:SULFATE ION
Chain Formula
Amino Acid sequence SCOPe Family Level CATH Homology Level
[A2] [A2] [A2]

Interfaces
Interface ID Chain Inaterface
Class		 Interface Type Contact Type
4k26_AB A
B		 HN
HN		 i7_CR(H35,N24)_HH(A1,S4)_HN(L3,S9)
i9_CR(H35,N17)_HH(P1,A1,S3)_HN(L3,S6) 		c4_RP(HH52,NN42,HN39,NH36,EN1)_HH(P2,A3,S6)_HN(L8,S9)
c2_RP(HH58,NN22,HN30,NH24)_HH(P1,A4,S4)_HN(L6,S6)

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
4k26_AB A 58 HN 55.2 100 44.8 B 58 HN 55.2 0 44.8

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
4k26_AB A 32 58 26 6 0 7 0 0 0 0 4 0 0 0 0 0 0 0 0 0 4 10 0 0
4k26_AB B 32 0 26 6 0 7 0 0 1 0 3 0 0 0 0 0 0 0 0 0 4 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
4k26_AB 56 0 41 0 37 0 0 37 0 0 4 8 0 0 0 0 0 0 0 0 0 0 8 6 0 0 0 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
238394 A:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductases11-beta-hydroxysteroid dehydrogenase 1Mouse (Mus musculus) [TaxId: 10090]
238395 B:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductases11-beta-hydroxysteroid dehydrogenase 1Mouse (Mus musculus) [TaxId: 10090]

CATH
CATH ID Node Class Architecture Topology Homology
4k26A003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4k26B003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain