Structure of PDB 4pud Chain A

Receptor sequence

>4pudA (length=371) Species: 1422 (Geobacillus stearothermophilus)

KPHISALNAPQLDQRYKNEFTIGAAVEPYQLQNEKDVQMLKRHFNSIVAE
NVMKPISIQPEEGKFNFEQADRIVKFAKANGMDIRFHTLVWHSQVPQWFF
LDKEGKPMVNETDPVKREQNKQLLLKRLETHIKTIVERYKDDIKYWDVVN
QVVGDDGKLRNSPWYQIAGIDYIKVAFQAARKYGGDNIKLYMNDYNTEVE
PKRTALYNLVKQLKEEGVPIDGIGHQSHIQIGWPSEAEIEKTINMFAALG
LDNQITELDVSMYGWPPRAYPTYDAIPKQKFLDQAARYDRLFKLYEKLSD
KISNVTFWGIADNHTWLDSRADVYYDANGNVVVDPNAPYAKVEKGKGKDA
PFVFGPDYKVKPAYWAIIDHK

3D structure

• PDB: 4pud Extracellulr Xylanase from Geobacillus stearothermophilus: E159Q mutant, with xylopentaose in active site.
• Chain: A
• Resolution: 2.01 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Q159 N201 H236 E265 D267
• Catalytic site (residue number reindexed from 1): Q151 N193 H228 E257 D259
• Enzyme Commision number: 3.2.1.8: endo-1,4-beta-xylanase.

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	XYP	A	Q238 W241 W273	Q230 W233 W265
BS02	XYP	A	W324 R328	W316 R320
BS03	XYP	A	K62 H95 W99 Q159 Q234 E265 W316 W324	K54 H87 W91 Q151 Q226 E257 W308 W316
BS04	XYP	A	E58 N59 K62 W316 W324	E50 N51 K54 W308 W316
BS05	ZN	A	E58 H322	E50 H314
BS06	ZN	A	D297 A374 D377 K379	D289 A366 D369 K371
BS07	ZN	A	E27 S307 I310	E19 S299 I302
BS08	ZN	A	H11 D365	H3 D357

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0031176 endo-1,4-beta-xylanase activity

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0045493 xylan catabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4pud, PDBe:4pud, PDBj:4pud
• PDBsum: 4pud
• UniProt: P40943|XYN1_GEOSE Endo-1,4-beta-xylanase