PDB ID : 4bb5 [A2]

Color

ARa IRb





 a AR:All Residues
 b IR:Interface Residues

Style





Secondary Structure


Download

Slab plane

Direction Proportion
From front %
From back %
Move slab

Chain
Chain name Ribbon Spacefill Cαonly
OLIGAMI PDB
AA
BB
Title
FREE-WILSON AND STRUCTURAL APPROACHES TO CO-OPTIMISING HUMAN AND RODENT ISOFORM POTENCY FOR 11B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 11B-HSD1 INHIBITORS

Structure Summary
PDB ID Mutant OPM Pub Med Method/Resolution HETNAM
4bb5
23153367 X-RAY DIFFRACTION/2.2 HD2:4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5-CARBOXAMIDE
NAP:NADP 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
4bb5_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
4bb5_AB A 62 HN 50 100 50 B 65 HN 50.8 0 49.2

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
4bb5_AB A 31 62 31 6 0 7 0 0 0 0 4 0 0 0 0 0 0 0 0 0 2 10 0 0
4bb5_AB B 33 0 32 7 0 8 0 0 0 0 4 0 0 0 0 0 0 0 0 0 2 13 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
4bb5_AB 57 0 40 0 38 0 0 37 0 0 5 7 0 0 0 0 0 0 0 0 0 0 10 8 0 0 0 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
219399 A:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductasesautomated matchesHuman (Homo sapiens) [TaxId: 9606]
219400 B:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductasesautomated matchesHuman (Homo sapiens) [TaxId: 9606]
219401 C:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductasesautomated matchesHuman (Homo sapiens) [TaxId: 9606]
219402 D:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductasesautomated matchesHuman (Homo sapiens) [TaxId: 9606]

CATH
CATH ID Node Class Architecture Topology Homology
4bb5A003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4bb5B003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4bb5C003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4bb5D003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain