OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH 5-AMINO-1-METHYL-1H-INDOLE

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
5ofm			Not in PubMed	X-RAY DIFFRACTION/1.5	9TT:1-METHYLINDOL-5-AMINE

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

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
5ofm_AB	A B	HEN HEN	i12_CR(H17,E4,N10)_CE(H4,E2,N4,C1)_HH(S1)_HE(S2)_HN(L1,S5)_EN(S2) i16_CR(H18,E4,N22)_CE(H4,E2,N6)_HH(P1,S1)_HE(S1)_HN(L1,S5)_EN(S4)	c3_RP(HH19,NN27,HE7,HN22,NE2,EH10,NH24,EN2)_HH(P1,A1,S2)_HE(P1,A1,S3)_HN(L5,S7)_EN(S2) c3_RP(HH36,NN33,HE3,HN33,NE2,EH3,NH32,EN3)_HH(P2,A2,S4)_HE(P1)_HN(L8,S8)_EN(S3)

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
5ofm_AB	A	57	HEN	43.9	100	50.9	B	54	HEN	38.9	5.6	55.6

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
5ofm_AB	A	25	57	29	5	1	6	1	0	0	0	3	0	0	0	0	0	0	0	0	3	5	3	0	3
5ofm_AB	B	21	3	30	4	1	4	0	0	1	0	1	0	0	0	0	0	0	0	0	2	3	3	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
5ofm_AB	26	0	46	8	34	0	7	40	0	3	1	2	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
x4822	_	Not Classified	Not Classified 48	Not Classified 48	Not Classified 48	Not Classified 48	Not Classified 4822

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
5ofmA00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
5ofmB00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain