8E07
Crystal structure of HPSE P6 in complex with triose pentosan inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Heparanase 50 kDa subunit | polymer | 387 | 43375.9 | 1 | UniProt (Q9Y251) Pfam (PF03662) In PDB | Homo sapiens (human) | |
2 | B | Heparanase 8 kDa subunit | polymer | 92 | 10267.5 | 1 | UniProt (Q9Y251) In PDB | Homo sapiens (human) | |
3 | C, F | 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose | branched | 974.8 | 2 | ||||
4 | A | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
5 | A | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
6 | A | AMMONIUM ION | non-polymer | 18.0 | 1 | Chemie (NH4) | |||
7 | water | water | 18.0 | 368 | Chemie (HOH) |
Sequence modifications
A: 158 - 543 (UniProt: Q9Y251)
B: 36 - 109 (UniProt: Q9Y251)
PDB | External Database | Details |
---|---|---|
Met 157 | - | initiating methionine |
Lys 178 | Asn 178 | engineered mutation |
Ser 195 | Ala 195 | engineered mutation |
Gly 197 | Leu 197 | engineered mutation |
Ala 212 | Ser 212 | engineered mutation |
Asp 219 | Ser 219 | engineered mutation |
Arg 230 | Leu 230 | engineered mutation |
Gly 234 | Asp 234 | engineered mutation |
Lys 244 | Glu 244 | engineered mutation |
His 248 | Gln 248 | engineered mutation |
Gly 273 | Arg 273 | engineered mutation |
Ala 292 | Ser 292 | engineered mutation |
Leu 307 | Lys 307 | engineered mutation |
Thr 318 | Ile 318 | engineered mutation |
Gln 322 | Ser 322 | engineered mutation |
Leu 327 | Phe 327 | engineered mutation |
Gly 354 | Leu 354 | engineered mutation |
Gln 426 | Ser 426 | engineered mutation |
Asp 427 | Lys 427 | engineered mutation |
Gln 477 | Lys 477 | engineered mutation |
His 483 | Leu 483 | engineered mutation |
Asp 486 | His 486 | engineered mutation |
Gln 498 | Leu 498 | engineered mutation |
Lys 512 | Met 512 | engineered mutation |
Pro 513 | Glu 513 | engineered mutation |
Ala 530 | Ser 530 | engineered mutation |
Pro 540 | Ala 540 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Met 18 | - | initiating methionine |
Gly 19 | - | expression tag |
Ser 20 | - | expression tag |
Ser 21 | - | expression tag |
His 22 | - | expression tag |
His 23 | - | expression tag |
His 24 | - | expression tag |
His 25 | - | expression tag |
His 26 | - | expression tag |
His 27 | - | expression tag |
Ser 28 | - | expression tag |
Gln 29 | - | expression tag |
Asp 30 | - | expression tag |
Pro 31 | - | expression tag |
Asn 32 | - | expression tag |
Ser 33 | - | expression tag |
Ser 34 | - | expression tag |
Ser 35 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 53643.4 | |
Branched | Number of molecules | 2 |
Total formula weight | 1949.6 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 557.4 | |
All* | Total formula weight | 56150.4 |