OLIGAMI : Oligomer Architecture and Molecular Interface

PDB ID : 1pqw [A2]

Color

AR^a IR^b

Chain(OLIGAMI)
Chain(PDB)
Domain
CPK
Secondary Structure
Polar(blue)/
Nonpolar(white)

^a AR:All Residues
^b IR:Interface Residues

Style

Secondary Structure

Download

Slab plane

Direction	Proportion
From front	%
From back	%
Move slab

Chain

Chain name		Ribbon	Spacefill	Cαonly
OLIGAMI	PDB
A	A
B	B

Title

PUTATIVE ENOYL REDUCTASE DOMAIN OF POLYKETIDE SYNTHASE

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
1pqw			Not in PubMed	X-RAY DIFFRACTION/2.66	CA:CALCIUM ION

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

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
1pqw_AB	A B	HEN_iE HEN_iE	i2_CR(H12,E17,N21)_CE(H3,E5,N7)_HH(S1)_EE(Ah2,iE2,S1)_HE(S2)_HN(L1,S4)_EN(L1,S8) i2_CR(H12,E17,N21)_CE(H3,E5,N7)_HH(S1)_EE(Ah2,iE2,S1)_HE(S2)_HN(L1,S4)_EN(L1,S8)	c7_RP(HH1,EE37,NN19,HE2,HN4,NE15,EH2,NH4,EN16)_EE(P2,A1,S3)_HE(S2)_HN(S3)_EN(L3,S9) c7_RP(HH1,EE37,NN19,HE2,HN4,NE15,EH2,NH4,EN16)_EE(P2,A1,S3)_HE(S2)_HN(S3)_EN(L3,S9)

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
1pqw_AB	A	27	HEN_iE	11.1	100	59.3	B	24	HEN_iE	12.5	33.3	54.2

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
1pqw_AB	A	3	27	16	1	3	4	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	2	2	5
1pqw_AB	B	3	8	13	1	3	4	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	1	2	4

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
1pqw_AB	0	11	19	2	3	12	2	3	11	0	0	0	0	0	0	0	0	2	0	0	2	0	0	2	0	2	4	2

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
88278	A:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Alcohol dehydrogenase-like, C-terminal domain	Putative enoyl reductase domain of polyketide synthase	Mycobacterium tuberculosis [TaxId: 1773]
88279	B:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	Alcohol dehydrogenase-like, C-terminal domain	Putative enoyl reductase domain of polyketide synthase	Mycobacterium tuberculosis [TaxId: 1773]

CATH

CATH ID	Node	Class	Architecture	Topology	Homology
1pqwA00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
1pqwB00	3.40.50.720		:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain