OLIGAMI : Oligomer Architecture and Molecular Interface

Title

TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EQUILIN COMPLEXED WITH NADP+

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
1equ			9927655	X-RAY DIFFRACTION/3	EQI:EQUILIN NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

Chain Formula
Amino Acid sequence	SCOPe Family Level	CATH Homology Level
[A2]	[A2]	[A2]

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
1equ_AB	A B	HEN HEN	i15_CR(H38,E3,N23)_CE(H7,E1,N7)_HH(S5)_HE(S1)_HN(L3,S10)_EN(S1) i15_CR(H38,E3,N23)_CE(H7,E1,N7)_HH(S5)_HE(S1)_HN(L3,S10)_EN(S1)	c2_RP(HH59,NN9,HE1,HN35,NE5,EH1,NH35,EN5)_HH(P2,A1,S12)_HE(S2)_HN(L7,S14)_EN(L2) c2_RP(HH59,NN9,HE1,HN35,NE5,EH1,NH35,EN5)_HH(P2,A1,S12)_HE(S2)_HN(L7,S14)_EN(L2)

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
1equ_AB	A	58	HEN	62.1	100	34.5	B	56	HEN	62.5	3.6	33.9

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
1equ_AB	A	36	58	20	7	1	8	0	0	1	0	4	0	0	0	0	0	0	0	0	1	4	11	0	1
1equ_AB	B	35	2	19	7	1	8	1	0	0	0	4	0	0	0	0	0	0	0	0	1	4	11	0	1

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
1equ_AB	58	0	8	0	31	4	0	32	4	2	2	11	0	0	0	0	0	0	0	0	0	0	6	13	0	2	0	2

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
29846	A:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	Human estrogenic 17beta-hydroxysteroid dehydrogenase	Human (Homo sapiens) [TaxId: 9606]
29847	B:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	Human estrogenic 17beta-hydroxysteroid dehydrogenase	Human (Homo sapiens) [TaxId: 9606]

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
1equA00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
1equB00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain