OLIGAMI : Oligomer Architecture and Molecular Interface

Title

THE STRUCTURE OF MONOOXYGENASE KSTA11 IN COMPLEX WITH NAD AND ITS SUBSTRATE

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
5f5n			28137838	X-RAY DIFFRACTION/1.3	5VD:METHYL (1~{R},2~{R},4~{S})-2-METHYL-2,4,5,7,10-PENTAKIS(OXIDANYL)-6,11-BIS(OXIDANYLIDENE)-3,4-DIHYDRO-1~{H}-TETRACENE-1-CARBOXYLATE EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID GOL:GLYCEROL MG:MAGNESIUM ION 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
5f5n_AB	A B	HN HN	i1_CR(H21,N7)_HH(P1,S1)_HN(L1,S4) i2_CR(H24,N5)_HH(A1,S1)_HN(L1,S2)	c6_RP(HH48,NN3,HN7,NH7)_HH(P3,A1,S2)_HN(L1,S5) c1_RP(HH58,NN3,HN5,NH5)_HH(P2,A2,S1)_HN(L1,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
5f5n_AB	A	25	HN	84	100	16	B	23	HN	87	0	13

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
5f5n_AB	A	21	25	4	5	0	3	0	0	1	1	2	0	0	0	0	0	0	0	0	0	1	3	0	0
5f5n_AB	B	20	0	3	5	0	2	0	0	0	1	3	0	0	0	0	0	0	0	0	0	1	2	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
5f5n_AB	35	0	0	0	6	0	0	4	0	2	0	6	0	0	0	0	0	0	0	0	0	0	0	6	0	0	0	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
x51732	_	Not Classified	Not Classified 517	Not Classified 517	Not Classified 517	Not Classified 517	Not Classified 51732

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
5f5nA00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
5f5nB00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain