9YO8
Crystal structure of integrin a4b1 headpiece in complex with DS-13d (Mn)
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Integrin alpha-4,Integrin alpha-V heavy chain | polymer | 588 | 64603.8 | 1 | UniProt (P13612) UniProt (P06756) Pfam (PF01839) Pfam (PF08441) | Homo sapiens (human) | CD49 antigen-like family member D,Integrin alpha-IV,VLA-4 subunit alpha |
| 2 | B (B) | Integrin beta-1 | polymer | 490 | 54405.2 | 1 | UniProt (P05556) Pfam (PF17205) Pfam (PF00362) Pfam (PF18372) | Homo sapiens (human) | Fibronectin receptor subunit beta,Glycoprotein IIa,GPIIA,VLA-4 subunit beta |
| 3 | C (C) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 4 | D, E (D, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 5 | F (F) | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G22573RC) | |||
| 6 | G, K, L, P (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) PubChem (24139) | |||
| 7 | H, I, J (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) PubChem (271) | |||
| 8 | M, N, O (B) | MANGANESE (II) ION | non-polymer | 54.9 | 3 | Chemie (MN) PubChem (27854) | |||
| 9 | Q (B) | {1-[(3S)-4-({4-[(2-methylphenyl)carbamamido]phenyl}acetyl)morpholine-3-carbonyl]piperidin-4-yl}acetic acid | non-polymer | 522.6 | 1 | Chemie (A1CYV) | |||
| 10 | R, S (A, B) | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
A: 1 - 433 (UniProt: P13612)
A: 434 - 588 (UniProt: P06756)
B: 1 - 481 (UniProt: P05556)
| PDB | External Database | Details |
|---|---|---|
| Phe 1 | Tyr 34 | conflict |
B: 1 - 481 (UniProt: P05556)
| PDB | External Database | Details |
|---|---|---|
| His 92 | Thr 112 | conflict |
| Thr 195 | Ser 215 | conflict |
| Gly 482 | - | expression tag |
| Gly 483 | - | expression tag |
| Ser 484 | - | expression tag |
| Glu 485 | - | expression tag |
| Asn 486 | - | expression tag |
| Leu 487 | - | expression tag |
| Tyr 488 | - | expression tag |
| Phe 489 | - | expression tag |
| Gln 490 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 119009.0 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2184.0 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1692.5 | |
| All* | Total formula weight | 122885.5 |
