OLIGAMI : Oligomer Architecture and Molecular Interface

Title

HUMAN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 IN COMPLEX WITH AZD8329

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
4p38			23088558	X-RAY DIFFRACTION/2.8	21T:4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1-YL]BENZOIC ACID CL:CHLORIDE ION 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
4p38_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)	c3_RP(HH56,NN18,HN23,NH23)_HH(P2,A3,S7)_HN(L4,S11) 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(%)
	Domain	Number of contact residues	Binding site Class	H	E	N	Domain	Number of contact residues	Binding site Class	H	E	N
4p38_AB	A	58	HN	56.9	100	43.1	B	59	HN	57.6	0	42.4

Interface Type: Information for each interface

Interface ID	chain	Number of contact residues			Number of elements					Number of contacts between Secondary structure elements
		Number of contact residues			Number of 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
4p38_AB	A	33	58	25	6	0	7	0	0	0	0	4	0	0	0	0	0	0	0	0	0	2	12	0	0
4p38_AB	B	34	0	25	6	0	7	0	0	1	0	3	0	0	0	0	0	0	0	0	0	2	12	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
	H-H	E-E	N-N	H-E	H-N	N-E	E-H	N-H	E-N	P	A	S	Ih	P	A	S	IPh	IAh	P	A	S	Ih	L	S	Ih	L	S	Ih
4p38_AB	57	0	29	0	37	0	0	35	0	0	5	6	0	0	0	0	0	0	0	0	0	0	10	6	0	0	0	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
257395	A:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	11-beta-hydroxysteroid dehydrogenase 1	Human (Homo sapiens) [TaxId: 9606]
260937	B:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	11-beta-hydroxysteroid dehydrogenase 1	Human (Homo sapiens) [TaxId: 9606]

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
4p38A00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
4p38B00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain