PDB ID : 4j4t [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
4j4t
25677657 X-RAY DIFFRACTION/2.34 1JU:1-(1,3-BENZODIOXOL-5-YLMETHYL)-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
4j4t_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
4j4t_AB A 35 HEN 22.9 100 62.9 B 34 HEN 23.5 11.8 64.7

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
4j4t_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
4j4t_AB B 8 4 22 3 1 5 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 5 1 2

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
4j4t_AB 5 0 43 0 11 9 0 11 8 0 1 0 0 0 0 0 0 0 0 0 0 0 2 6 0 2 1 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
x64284_Not ClassifiedNot Classified 642Not Classified 642Not Classified 642Not Classified 642Not Classified 64284

CATH
CATH ID Node Class Architecture Topology Homology
4j4tA003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j4tB003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j4tC003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j4tD003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j4tE003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j4tF003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j4tG003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
4j4tH003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain