PDB ID : 1ae1 [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
TROPINONE REDUCTASE-I COMPLEX WITH NADP

Structure Summary
PDB ID Mutant OPM Pub Med Method/Resolution HETNAM
1ae1
9560196 X-RAY DIFFRACTION/2.4 NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Chain Formula
Amino Acid sequence SCOPe Family Level CATH Homology Level
[A2] [A2] [A2]

Interfaces
Interface ID Chain Inaterface
Class
Interface Type Contact Type
1ae1_AB A
B
HN
HN
i15_CR(H13,N13)_HH(S2)_HN(L1,S5)
i15_CR(H13,N13)_HH(S2)_HN(L1,S5)
c8_RP(HH15,NN15,HN24,NH22)_HH(A1,S2)_HN(L6,S4)
c8_RP(HH15,NN15,HN24,NH22)_HH(A1,S2)_HN(L6,S4)

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
1ae1_AB A 33 HN 63.6 100 36.4 B 32 HN 62.5 0 37.5

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
1ae1_AB A 21 33 12 4 0 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 7 0 0
1ae1_AB B 20 0 12 4 0 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 7 0 0

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
1ae1_AB 34 0 0 0 25 0 0 26 0 0 1 6 0 0 0 0 0 0 0 0 0 0 6 4 0 0 0 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
29943 A:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductasesTropinone reductaseJimsonweed (Datura stramonium), I [TaxId: 4076]
29944 B:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsTyrosine-dependent oxidoreductasesTropinone reductaseJimsonweed (Datura stramonium), I [TaxId: 4076]

CATH
CATH ID Node Class Architecture Topology Homology
1ae1A003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
1ae1B003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain