Structure of PDB 4au0 Chain B

Receptor sequence

>4au0B (length=363) Species: 51453 (Trichoderma reesei)

TATYSGNPFVGVTPWANAYYASEVSSLAIPSLTGAMATAAAAVAKVPSFM
WLDTLDKTPLMEQTLADIRTANKNGGNYAGQFVVYDLPDRDCAALASNGE
YSIADGGVAKYKNYIDTIRQIVVEYSDIRTLLVIEPASLANLVTNLGTPK
CANAQSAYLECINYAVTQLNLPNVAMYLDAGHAGWLGWPANQDPAAQLFA
NVYKNASSPRALRGLATNVANYNGWNITSPPSYTQGNAVYNEKLYIHAIG
PLLANHGWSNAFFITDQGRSGKQPTGQQQWGDWCNVIGTGFGIRPSANTG
DSLLDSFVWVKPGGECDGTSDSSAPRFDSHCALPDALQPAPQAGAWFQAY
FVQLLTNANPSFL

3D structure

• PDB: 4au0 Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
• Chain: B
• Resolution: 1.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y169 R174 D175 S181 A221 D401
• Catalytic site (residue number reindexed from 1): Y85 R90 D91 S97 A137 D317
• Enzyme Commision number: 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).

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	BGC	B	N229 H266 W269	N145 H182 W185
BS02	BGC	B	H266 W269 N305 W367	H182 W185 N221 W283
BS03	MAN	B	T85 T87	T1 T3
BS04	MAN	B	T97 G160 N161 Y162	T13 G76 N77 Y78
BS05	MAN	B	Y103 S106 L111	Y19 S22 L27
BS06	MAN	B	S109 A125 A128	S25 A41 A44
BS07	MAN	B	S106 S110	S22 S26
BS08	MAN	B	G118 T122	G34 T38
BS09	XZZ	B	G268 W269 W272 G365	G184 W185 W188 G281
BS10	BGC	B	W135 D137 S181 K395 E399	W51 D53 S97 K311 E315

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0030245 cellulose catabolic process

External links

• PDB: RCSB:4au0, PDBe:4au0, PDBj:4au0
• PDBsum: 4au0
• PubMed: 23137336
• UniProt: P07987|GUX2_HYPJE Exoglucanase 2 (Gene Name=cbh2)