3V4P
crystal structure of a4b7 headpiece complexed with Fab ACT-1
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, C | Integrin alpha-4 | polymer | 597 | 65644.7 | 2 | UniProt (P13612) Pfam (PF01839) Pfam (PF08441) In PDB | Homo sapiens (human) | CD49 antigen-like family member D, Integrin alpha-IV, VLA-4 subunit alpha |
2 | B, D | Integrin beta-7 | polymer | 503 | 55426.2 | 2 | UniProt (P26010) Pfam (PF17205) Pfam (PF00362) In PDB | Homo sapiens (human) | Gut homing receptor beta subunit |
3 | H, M | MONOCLONAL ANTIBODY Act-1 HEAVY CHAIN | polymer | 219 | 23570.2 | 2 | Mus musculus (mouse) | ||
4 | L, N | MONOCLONAL ANTIBODY Act-1 LIGHT CHAIN | polymer | 217 | 23897.4 | 2 | Mus musculus (mouse) | ||
5 | E, F | alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 2 | In PDB GlyTouCan (G81315DD) | |||
6 | D, A, B, C | CALCIUM ION | non-polymer | 40.1 | 10 | Chemie (CA) | |||
7 | C, A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 9 | Chemie (NAG) | |||
8 | A | POLYETHYLENE GLYCOL (N=34) | non-polymer | 1529.8 | 1 | Chemie (15P) | |||
9 | D, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
10 | C | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
11 | water | water | 18.0 | 21 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 587 (UniProt: P13612)
B, D: 1 - 493 (UniProt: P26010)
PDB | External Database | Details |
---|---|---|
Ala 558 | Arg 591 | engineered mutation |
Thr 588 | - | expression tag |
Gly 589 | - | expression tag |
Gly 590 | - | expression tag |
Leu 591 | - | expression tag |
Glu 592 | - | expression tag |
Asn 593 | - | expression tag |
Leu 594 | - | expression tag |
Tyr 595 | - | expression tag |
Phe 596 | - | expression tag |
Gln 597 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Ser 494 | - | expression tag |
Arg 495 | - | expression tag |
Gly 496 | - | expression tag |
Leu 497 | - | expression tag |
Glu 498 | - | expression tag |
Asn 499 | - | expression tag |
Leu 500 | - | expression tag |
Tyr 501 | - | expression tag |
Phe 502 | - | expression tag |
Gln 503 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 8 |
Total formula weight | 337077.1 | |
Branched | Number of molecules | 2 |
Total formula weight | 1497.4 | |
Non-Polymers* | Number of molecules | 23 |
Total formula weight | 4092.2 | |
All* | Total formula weight | 342666.7 |