OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF SUMO E1 IN COMPLEX WITH AN ALLOSTERIC INHIBITOR

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
6cwy			30514846	X-RAY DIFFRACTION/2.46	FHJ:DIMETHYL (1S,2S,3R,4R)-1-[(1S)-2-(4-METHYLPHENYL)-1-(PHENYLAMINO)ETHYL]-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE GOL:GLYCEROL MG:MAGNESIUM ION SO4:SULFATE ION ZN:ZINC ION

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

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
6cwy_AB	A B	HEN_iE HEN_iE	i1_CR(H11,E9,N15)_CE(H3,E3,N5)_HH(S1)_EE(Ah1,iE1)_HE(S2)_HN(L1,S4)_EN(L1,S4) i1_CR(H11,E9,N15)_CE(H3,E3,N5)_HH(S1)_EE(Ah1,iE1)_HE(S2)_HN(L1,S4)_EN(L1,S4)	c2_RP(HH11,EE11,NN18,HE2,HN9,NE6,EH1,NH8,EN5)_HH(A1,S1)_HE(S2)_HN(L2,S4)_EN(L1,S5) c2_RP(HH11,EE11,NN18,HE2,HN9,NE6,EH1,NH8,EN5)_HH(A1,S1)_HE(S2)_HN(L2,S4)_EN(L1,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
6cwy_AB	A	56	HEN_iE	37.5	100	46.4	B	45	HEN_iE	37.8	15.6	46.7

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
6cwy_AB	A	21	56	26	7	3	8	0	0	0	0	3	0	0	0	0	1	1	0	0	2	1	9	0	6
6cwy_AB	B	17	7	21	4	2	7	1	0	1	0	0	0	0	0	0	1	1	0	0	2	0	5	1	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
6cwy_AB	29	11	34	3	12	6	2	13	7	0	3	2	0	1	0	0	0	1	0	0	3	0	1	12	0	1	5	1

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
x26019	_	Not Classified	Not Classified 260	Not Classified 260	Not Classified 260	Not Classified 260	Not Classified 26019

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
6cwyC00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain