PDB ID : 4j3f [A2]

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ARa IRb





 a AR:All Residues
 b IR:Interface Residues

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Secondary Structure


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Chain
Chain name Ribbon Spacefill Cαonly
OLIGAMI PDB
AA
BB
Title
CRYSTAL STRUCTURE OF FABI FROM F. TULARENSIS IN COMPLEX WITH NOVEL INHIBITORS BASED ON THE BENZIMIDAZOLE SCAFFOLD.

Structure Summary
PDB ID Mutant OPM Pub Med Method/Resolution HETNAM
4j3f
25677657 X-RAY DIFFRACTION/1.85 1JT:1-(4-METHOXY-3-METHYLBENZYL)-5,6,7,8-TETRAHYDRO-1H-NAPHTHO[2,3-D]IMIDAZOLE
ACT:ACETATE ION
GOL:GLYCEROL
NA:SODIUM ION
NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Chain Formula
Amino Acid sequence SCOPe Family Level CATH Homology Level
[A2] [A2] [A2]

Interfaces
Interface ID Chain Inaterface
Class		 Interface Type Contact Type
4j3f_AB A
B		 HEN
HEN		 i9_CR(H8,E4,N12)_CE(H2,E2,N4)_HE(S1)_HN(L1,S3)_EN(S2)
i9_CR(H8,E4,N12)_CE(H2,E2,N4)_HE(S1)_HN(L1,S3)_EN(S2) 		c8_RP(HH4,EE1,NN44,HN12,NE5,NH11,EN5)_HH(S1)_HN(L3,S4)_EN(L1,S3)
c8_RP(HH4,EE1,NN44,HN12,NE5,NH11,EN5)_HH(S1)_HN(L3,S4)_EN(L1,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(%)
H E N H E N
4j3f_AB A 35 HEN 22.9 100 62.9 B 35 HEN 25.7 14.3 60

Interface Type: Information for each interface
Interface ID chain Number of contact residues Number of elements Number of contacts between Secondary structure 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
4j3f_AB A 8 35 22 3 2 5 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 5 1 4
4j3f_AB B 9 5 21 3 2 5 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 5 1 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
P A S Ih P A S IPh IAh P A S Ih L S Ih L S Ih
4j3f_AB 5 0 42 0 13 9 0 11 9 0 1 0 0 0 0 0 0 0 0 0 0 0 3 5 0 2 2 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
x60418_Not ClassifiedNot Classified 604Not Classified 604Not Classified 604Not Classified 604Not Classified 60418

CATH
CATH ID Node Class Architecture Topology Homology
4j3fA003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j3fB003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j3fC003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j3fD003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j3fE003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j3fF003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j3fG003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j3fH003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain