OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH N-(3-CHLORO-4-METHOXYPHENYL) ACETAMIDE

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
5n53			29568346	X-RAY DIFFRACTION/1.48	8NB:~{N}-(3-CHLORANYL-4-METHOXY-PHENYL)ETHANAMIDE

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

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
5n53_AB	A B	HEN HEN	i12_CR(H17,E4,N10)_CE(H4,E2,N4,C1)_HH(S1)_HE(S2)_HN(L1,S5)_EN(S2) i10_CR(H13,E4,N30)_CE(H3,E2,N7)_HH(S1)_EE(Ah1)_HE(S1)_HN(L2,S5)_EN(S5)	c3_RP(HH19,NN27,HE7,HN22,NE2,EH10,NH24,EN2)_HH(P1,A1,S2)_HE(P1,A1,S3)_HN(L5,S7)_EN(S2) c5_RP(HH30,NN32,HE3,HN30,NE3,EH4,NH27,EN2)_HH(P2,A1,S3)_HE(S2)_HN(L6,S9)_EN(S2)

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
5n53_AB	A	57	HEN	42.1	100	52.6	B	58	HEN	37.9	5.2	56.9

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
5n53_AB	A	24	57	30	5	1	6	1	0	0	0	3	0	0	0	0	0	0	0	0	3	5	3	0	3
5n53_AB	B	22	3	33	4	1	5	0	0	0	0	3	0	0	0	0	0	0	0	0	2	4	2	1	1

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
5n53_AB	28	0	47	7	37	0	7	41	0	3	1	1	0	0	0	0	0	0	2	0	0	0	9	6	2	0	0	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
x18496	_	Not Classified	Not Classified 184	Not Classified 184	Not Classified 184	Not Classified 184	Not Classified 18496

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
5n53A00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
5n53B00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain