OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER ALCOHOL DEHYDROGENASE COMPLEXED WITH NADH AND ACETATE AT 1.6 A

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
1mg5			15581900	X-RAY DIFFRACTION/1.63	ACT:ACETATE ION NAI:1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

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

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
1mg5_AB	A B	HEN HEN	i16_CR(H18,E4,N22)_CE(H4,E2,N6)_HH(P1,S1)_HE(S1)_HN(L1,S5)_EN(S4) i12_CR(H17,E4,N10)_CE(H4,E2,N4,C1)_HH(S1)_HE(S2)_HN(L1,S5)_EN(S2)	c3_RP(HH36,NN33,HE3,HN33,NE2,EH3,NH32,EN3)_HH(P2,A2,S4)_HE(P1)_HN(L8,S8)_EN(S3) c2_RP(HH11,NN23,HE2,HN12,NE3,EH2,NH11,EN3)_HH(A1,S2)_HE(S1)_HN(L2,S5)_EN(S3)

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
1mg5_AB	A	56	HEN	46.4	100	50	B	56	HEN	44.6	3.6	51.8

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
1mg5_AB	A	26	56	28	4	1	7	0	0	1	0	1	0	0	0	0	0	0	0	0	0	1	9	0	3
1mg5_AB	B	25	2	29	5	1	8	1	0	0	0	3	0	0	0	0	0	0	0	0	0	1	11	0	3

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
1mg5_AB	31	0	54	0	25	2	0	30	2	0	3	3	0	0	0	0	0	0	0	0	0	0	9	5	0	0	2	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
91264	A:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	Drosophila alcohol dehydrogenase	Fruit fly (Drosophila melanogaster) [TaxId: 7227]
91265	B:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	Drosophila alcohol dehydrogenase	Fruit fly (Drosophila melanogaster) [TaxId: 7227]

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
1mg5A00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
1mg5B00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain