OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE IN COMPLEX WITH 5-FLUORO-2-METHYLBENZOIC ACID

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
5ofv			29568346	X-RAY DIFFRACTION/1.5	9TZ:5-FLUORANYL-2-METHYL-BENZOIC ACID

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

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
5ofv_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
5ofv_AB	A	56	HEN	42.9	100	51.8	B	54	HEN	40.7	5.6	53.7

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
5ofv_AB	A	24	56	29	5	1	5	1	0	0	0	3	0	0	0	0	0	0	0	0	3	5	3	0	3
5ofv_AB	B	22	3	29	4	1	4	0	0	0	0	2	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
5ofv_AB	26	0	44	7	36	0	8	37	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
x46855	_	Not Classified	Not Classified 468	Not Classified 468	Not Classified 468	Not Classified 468	Not Classified 46855

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
5ofvA00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
5ofvB00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain