OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF A 17BETA-HYDROXYSTEROID DEHYDROGENASE (HOLO FORM) FROM FUNGUS COCHLIOBOLUS LUNATUS IN COMPLEX WITH NADPH AND COUMESTROL

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
3qwi			21929506	X-RAY DIFFRACTION/2.5	CUE:COUMESTROL EDO:1,2-ETHANEDIOL 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
3qwi_AB	A B	HN HN	i13_CR(H13,N16)_HH(S1)_HN(L1,S5) i13_CR(H13,N16)_HH(S1)_HN(L1,S5)	c2_RP(HH22,NN17,HN28,NH29)_HH(P1,A1,S6)_HN(L7,S4) c2_RP(HH22,NN17,HN28,NH29)_HH(P1,A1,S6)_HN(L7,S4)

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
3qwi_AB	A	44	HN	59.1	100	40.9	B	43	HN	60.5	0	39.5

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
3qwi_AB	A	26	44	18	4	0	4	0	1	1	0	2	0	0	0	0	0	0	0	0	0	2	7	0	0
3qwi_AB	B	26	0	17	4	0	4	0	1	1	0	2	0	0	0	0	0	0	0	0	0	2	7	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
3qwi_AB	48	0	3	0	37	0	0	37	0	0	3	7	0	0	0	0	0	0	0	0	0	0	8	0	0	0	0	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
215475	A:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	Cochliobolus lunatus [TaxId: 5503]
215476	B:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	Cochliobolus lunatus [TaxId: 5503]
215477	C:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	Cochliobolus lunatus [TaxId: 5503]
215478	D:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	Cochliobolus lunatus [TaxId: 5503]

CATH

CATH ID	Node	Architecture	Topology	Homology
3qwiA00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
3qwiB00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
3qwiC00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
3qwiD00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain