PDB ID : 3q9n [AB]

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 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
BC
Title
IN SILICO AND IN VITRO CO-EVOLUTION OF A HIGH AFFINITY COMPLEMENTARY PROTEIN-PROTEIN INTERFACE

Structure Summary
PDB ID Mutant OPM Pub Med Method/Resolution HETNAM
3q9n
21458342 X-RAY DIFFRACTION/2 CMS:CARBAMOYL SARCOSINE
COA:COENZYME A
Chain Formula
Amino Acid sequence SCOPe Family Level CATH Homology Level
[AB] [AB] [AB]

Interfaces
Interface ID Chain Inaterface
Class		 Interface Type Contact Type
3q9n_AB A
B		 HN
HN		 i13_CR(H13,N16)_HH(S1)_HN(L1,S5)
i15_CR(H13,N13)_HH(S2)_HN(L1,S5) 		c4_RP(HH11,NN15,HN12,NE1,NH10)_HH(A1,S3)_HN(L2,S6)
c6_RP(HH23,NN11,HN11,NH12)_HH(P1,A1,S3)_HN(L2,S6)

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
3q9n_AB A 16 HN 37.5 100 62.5 B 24 HN 41.7 0 58.3

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
3q9n_AB A 6 16 10 2 0 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 4 0 0
3q9n_AB B 10 0 14 4 0 5 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 6 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
3q9n_AB 4 0 12 0 14 0 0 15 0 0 0 2 0 0 0 0 0 0 0 0 0 0 2 9 0 0 0 0

Structual Classification
SCOPe
SCOPe ID Chain Class Fold Superfamily Family Protein Domain Species
184290 A:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsCoA-binding domainautomated matchesEscherichia coli [TaxId: 562]
184291 B:Alpha and beta proteins (a/b)NAD(P)-binding Rossmann-fold domainsNAD(P)-binding Rossmann-fold domainsCoA-binding domainautomated matchesEscherichia coli [TaxId: 562]
184292 C:Alpha and beta proteins (a+b)beta-hairpin-alpha-hairpin repeatAnkyrin repeatAnkyrin repeatautomated matchesEscherichia coli [TaxId: 562]
184293 D:Alpha and beta proteins (a+b)beta-hairpin-alpha-hairpin repeatAnkyrin repeatAnkyrin repeatautomated matchesEscherichia coli [TaxId: 562]

CATH
CATH ID Node Class Architecture Topology Homology
3q9nA003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
3q9nB003.40.50.720:3-Layer(aba) Sandwich:Rossmann fold:NAD(P)-binding Rossmann-like Domain
3q9nC001.25.40.20:Alpha Horseshoe:Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat:Ankyrin repeat-containing domain
3q9nD001.25.40.20:Alpha Horseshoe:Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat:Ankyrin repeat-containing domain