PDB ID : 3byz [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
2-AMINO-1,3-THIAZOL-4(5H)-ONES AS POTENT AND SELECTIVE 11- HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS

Structure Summary
PDB ID Mutant OPM Pub Med Method/Resolution HETNAM
3byz
18419108 X-RAY DIFFRACTION/2.69 H11:(5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE
NDP:NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDEPHOSPHATE
Chain Formula
Amino Acid sequence SCOPe Family Level CATH Homology Level
[A2] [A2] [A2]

Interfaces
Interface ID Chain Inaterface
Class		 Interface Type Contact Type
3byz_AB A
B		 HN
HN		 i9_CR(H35,N17)_HH(P1,A1,S3)_HN(L3,S6)
i16_CR(H26,N12)_HH(S4)_HN(L2,S5) 		c2_RP(HH58,NN22,HN30,NH24)_HH(P1,A4,S4)_HN(L6,S6)
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
3byz_AB A 52 HN 65.4 100 34.6 B 52 HN 63.5 0 36.5

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
3byz_AB A 34 52 18 6 0 5 0 0 1 0 3 0 0 0 0 0 0 0 0 0 3 9 0 0
3byz_AB B 33 0 19 6 0 6 0 0 0 0 4 0 0 0 0 0 0 0 0 0 3 9 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
3byz_AB 57 0 3 0 34 0 0 33 0 0 3 9 0 0 0 0 0 0 0 0 0 0 10 5 0 0 0 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
155734 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]
155735 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]
155736 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]
155737 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]

CATH
CATH ID Node Class Architecture Topology Homology
3byzA003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
3byzB003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
3byzC003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
3byzD003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain