OLIGAMI : Oligomer Architecture and Molecular Interface

PDB ID : 3pje [A2]

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AR^a IR^b

Chain(OLIGAMI)
Chain(PDB)
Domain
CPK
Secondary Structure
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^a AR:All Residues
^b IR:Interface Residues

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Secondary Structure

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Chain

Chain name		Ribbon	Spacefill	Cαonly
OLIGAMI	PDB
A	A
B	B

Title

STRUCTURE OF ENR G93S MUTANT-NAD+-TRICLOSAN COMPLEX

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
3pje			21094257	X-RAY DIFFRACTION/2.5	NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE TCL:TRICLOSAN

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

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
3pje_AB	A B	HN HN	i13_CR(H13,N16)_HH(S1)_HN(L1,S5) i13_CR(H13,N16)_HH(S1)_HN(L1,S5)	c3_RP(HH41,NN11,HN13,NH14)_HH(P3,A2,S3)_HN(L2,S7) c3_RP(HH41,NN11,HN13,NH14)_HH(P3,A2,S3)_HN(L2,S7)

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
3pje_AB	A	40	HN	57.5	100	42.5	B	40	HN	57.5	0	42.5

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
3pje_AB	A	23	40	17	5	0	6	0	1	1	0	2	0	0	0	0	0	0	0	0	0	2	9	0	0
3pje_AB	B	23	0	17	5	0	6	0	1	1	0	2	0	0	0	0	0	0	0	0	0	2	10	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
3pje_AB	51	0	6	0	24	0	0	24	0	2	4	4	0	0	0	0	0	0	0	0	0	0	4	10	0	0	0	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
183800	A:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	automated matches	Escherichia coli K-12 [TaxId: 83333]
183801	B:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	automated matches	Escherichia coli K-12 [TaxId: 83333]

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
3pjeA00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
3pjeB00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain