Structure of PDB 4c4d Chain A

Receptor sequence

>4c4dA (length=434) Species: 51453 (Trichoderma reesei)

ESACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNC
YDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIDFVTQSA
QKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMD
ADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNAN
TGIGGHGSCCSEMDIWQANSISEALTPHPCTTVGQEICEGDGCGGTYSDN
RYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAI
NRYYVQNGVTFQQPNAELGSYSGNELNDDYCTAEEAEFGGSSFSDKGGLT
QFKKATSGGMVLVMSLWDDYYANMLWLDSTYPTNETSSTPGAVRGSCSTS
SGVPAQVESQSPNAKVTFSNIKFGPIGSTGNPSG

3D structure

• PDB: 4c4d The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies.
• Chain: A
• Resolution: 1.32 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E212 D214 Q217 H228
• Catalytic site (residue number reindexed from 1): E212 D214 Q217 H228
• 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	A	R251 D259 Y381 R394	R251 D259 Y381 R394
BS02	BGC	A	Q175 Q217 H228 R251 D259 W376	Q175 Q217 H228 R251 D259 W376
BS03	G2F	A	A143 Y145 D173 Q175 E212 D214 Q217 W367	A143 Y145 D173 Q175 E212 D214 Q217 W367
BS04	BGC	A	R107 Y145 Y247 S365 W367	R107 Y145 Y247 S365 W367
BS05	BGC	A	W38 R107 D179	W38 R107 D179
BS06	BGC	A	N37 W38 V104	N37 W38 V104
BS07	BGC	A	W38 Y51 N103 K181	W38 Y51 N103 K181
BS08	BGC	A	W40 N49	W40 N49
BS09	CO	A	E295 E325	E295 E325
BS10	CO	A	H206 E239	H206 E239

Gene Ontology

Molecular Function

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

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:4c4d, PDBe:4c4d, PDBj:4c4d
• PDBsum: 4c4d
• PubMed: 24341799
• UniProt: P62694|GUX1_HYPJE Exoglucanase 1 (Gene Name=cbh1)