OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF HUMAN SEPIAPTERIN REDUCTASE IN COMPLEX WITH SULFATHIAZOLE

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
4j7u			23704574	X-RAY DIFFRACTION/2.44	GOL:GLYCEROL NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE PEG:DI(HYDROXYETHYL)ETHER SO4:SULFATE ION YTZ:4-AMINO-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE

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

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
4j7u_AB	A B	HN HN	i9_CR(H35,N17)_HH(P1,A1,S3)_HN(L3,S6) i15_CR(H13,N13)_HH(S2)_HN(L1,S5)	c2_RP(HH58,NN22,HN30,NH24)_HH(P1,A4,S4)_HN(L6,S6) c8_RP(HH15,NN15,HN24,NH22)_HH(A1,S2)_HN(L6,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
4j7u_AB	A	47	HN	61.7	100	38.3	B	46	HN	60.9	0	39.1

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
4j7u_AB	A	29	47	18	4	0	4	0	0	1	0	2	0	0	0	0	0	0	0	0	0	2	6	0	0
4j7u_AB	B	28	0	18	4	0	4	0	0	0	0	2	0	0	0	0	0	0	0	0	0	2	6	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
4j7u_AB	38	0	3	0	38	0	0	39	0	0	5	3	0	0	0	0	0	0	0	0	0	0	8	1	0	0	0	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
252835	A:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	Sepiapterin reductase	Human (Homo sapiens) [TaxId: 9606]
252836	B:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	Sepiapterin reductase	Human (Homo sapiens) [TaxId: 9606]
252837	C:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	Sepiapterin reductase	Human (Homo sapiens) [TaxId: 9606]
252838	D:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Tyrosine-dependent oxidoreductases	Sepiapterin reductase	Human (Homo sapiens) [TaxId: 9606]

CATH

CATH ID	Node	Architecture	Topology	Homology
4j7uA00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
4j7uB00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
4j7uC00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
4j7uD00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain