Structure of PDB 1jib Chain A

Receptor sequence

>1jibA (length=585) Species: 2026 (Thermoactinomyces vulgaris)

MLLEAIFHEAKGSYAYPISETQLRVRLRAKKGDVVRCEVLYADRYASPEE
ELAHALAGKAGSDERFDYFEALLECSTKRVKYVFLLTGPQGEAVYFGETG
FSAERSKAGVFQYAYIHRSEVFTTPEWAKEAVIYQIFPERFANGDPSNDP
PGTEQWAKDARPRHDSFYGGDLKGVIDRLPYLEELGVTALYFTPIFASPS
HHKYDTADYLAIDPQFGDLPTFRRLVDEAHRRGIKIILDAVFNHAGDQFF
AFRDVLQKGEQSRYKDWFFIEDFPVSKTSRTNYETFAVQVPAMPKLRTEN
PEVKEYLFDVARFWMEQGIDGWRLNVANEVDHAFWREFRRLVKSLNPDAL
IVGEIWHDASGWLMGDQFDSVMNYLFRESVIRFFATGEIHAERFDAELTR
ARMLYPEQAAQGLWNLLDSHDTERFLTSCGGNEAKFRLAVLFQMTYLGTP
LIYYGDEIGMAGATDPDCRRPMIWEEKEQNRGLFEFYKELIRLRHRLASL
TRGNVRSWHADKQANLYAFVRTVQDQHVGVVLNNRGEKQTVLLQVPESGG
KTWLDCLTGEEVHGKQGQLKLTLRPYQGMILWNGR

3D structure

• PDB: 1jib Structures of Thermoactinomyces vulgaris R-47 alpha-amylase II complexed with substrate analogues.
• Chain: A
• Resolution: 3.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D239 R323 N325 E354 H420 D421
• Catalytic site (residue number reindexed from 1): D239 R323 N325 E354 H420 D421
• Enzyme Commision number: 3.2.1.135: neopullulanase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	GLC	A	F286 V326 E354	F286 V326 E354
BS02	GLC	A	Y204 H244 F286 N325 E354 H420 D421	Y204 H244 F286 N325 E354 H420 D421
BS03	GLC	A	H202 Y204 R469	H202 Y204 R469

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0031216 neopullulanase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:1jib, PDBe:1jib, PDBj:1jib
• PDBsum: 1jib
• PubMed: 11330677
• UniProt: Q08751|NEPU2_THEVU Neopullulanase 2 (Gene Name=tvaII)