OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF EONYL-(ACYL-CARRIER-PROTEIN) REDUCTASE FROM ANAPLASMA PHAGOCYTOPHILUM IN COMPLEX WITH NAD AT 1.9A RESOLUTION

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
3k31			Not in PubMed	X-RAY DIFFRACTION/1.8	EDO:1,2-ETHANEDIOL GOL:GLYCEROL NAD:NICOTINAMIDE-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
3k31_AB	A B	HN HN	i16_CR(H26,N12)_HH(S4)_HN(L2,S5) i16_CR(H26,N12)_HH(S4)_HN(L2,S5)	c3_RP(HH43,NN5,HN31,NH32)_HH(P1,A4,S4)_HN(L7,S5) c3_RP(HH43,NN5,HN31,NH32)_HH(P1,A4,S4)_HN(L7,S5)

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
3k31_AB	A	35	HN	51.4	100	48.6	B	35	HN	54.3	0	45.7

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
3k31_AB	A	18	35	17	3	0	4	0	0	0	0	2	0	0	0	0	0	0	0	0	0	3	5	0	0
3k31_AB	B	19	0	16	3	0	4	0	0	0	0	2	0	0	0	0	0	0	0	0	0	3	5	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
3k31_AB	22	0	8	0	28	0	0	27	0	0	2	2	0	0	0	0	0	0	0	0	0	0	6	4	0	0	0	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
x32730	_	Not Classified	Not Classified 327	Not Classified 327	Not Classified 327	Not Classified 327	Not Classified 32730

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
3k31A00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
3k31B00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain