Receptor
PDB id Resolution Class Description Source Keywords
5A0R 1.25 Å EC: 3.4.24.- PRODUCT PEPTIDE-BOUND STRUCTURE OF METALLOPROTEASE ZMP1 VARIANT E143A FROM CLOSTRIDIUM DIFFICILE CLOSTRIDIUM DIFFICILE HYDROLASE METALLOPROTEASE ZMP1 PROLINE SPECIFICITY
Ref.: STRUCTURAL BASIS OF PROLINE-PROLINE PEPTIDE BOND SPECIFICITY OF THE METALLOPROTEASE ZMP1 IMPLICATED MOTILITY OF CLOSTRIDIUM DIFFICILE. STRUCTURE V. 23 1632 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1221;
B:1221;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
ACE GLU VAL ASN PRO E:0;
D:0;
Valid;
Valid;
none;
none;
submit data
497.505 n/a O=C([...
GOL A:1223;
A:1224;
B:1222;
A:1222;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A0R 1.25 Å EC: 3.4.24.- PRODUCT PEPTIDE-BOUND STRUCTURE OF METALLOPROTEASE ZMP1 VARIANT E143A FROM CLOSTRIDIUM DIFFICILE CLOSTRIDIUM DIFFICILE HYDROLASE METALLOPROTEASE ZMP1 PROLINE SPECIFICITY
Ref.: STRUCTURAL BASIS OF PROLINE-PROLINE PEPTIDE BOND SPECIFICITY OF THE METALLOPROTEASE ZMP1 IMPLICATED MOTILITY OF CLOSTRIDIUM DIFFICILE. STRUCTURE V. 23 1632 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5A0R - ACE GLU VAL ASN PRO n/a n/a
2 5A0X - ACE GLU VAL ASN PRO PRO VAL PRO NH2 n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5A0R - ACE GLU VAL ASN PRO n/a n/a
2 5A0X - ACE GLU VAL ASN PRO PRO VAL PRO NH2 n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5A0R - ACE GLU VAL ASN PRO n/a n/a
2 5A0X - ACE GLU VAL ASN PRO PRO VAL PRO NH2 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACE GLU VAL ASN PRO; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE GLU VAL ASN PRO 1 1
2 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.666667 0.947368
3 GLU VAL PTR GLU SER PRO 0.456897 0.694444
4 ACE ASP GLU VAL ASP 0QE 0.433333 0.627119
5 GLY PHE GLU PRO 0.425743 0.821429
6 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.420635 0.857143
7 ACE GLN PM3 GLU GLU ILE PRO 0.415254 0.742424
8 GLU LEU PRO LEU VAL LYS ILE 0.410256 0.859649
9 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.408333 0.787879
10 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.40458 0.728571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A0R; Ligand: ACE GLU VAL ASN PRO; Similar sites found: 44
This union binding pocket(no: 1) in the query (biounit: 5a0r.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KMT SAH 0.01971 0.40107 None
2 3W21 AKG 0.03675 0.40417 1.0101
3 4CD6 IFM BMA 0.03535 0.40315 1.51515
4 4DR9 BB2 0.01341 0.40556 1.5625
5 3G2Y GF4 0.01897 0.42337 2.52525
6 2PW0 TRC 0.02653 0.40568 3.0303
7 5L44 K26 0.01701 0.40072 3.0303
8 3V0H I3P 0.031 0.40619 3.53535
9 2FN1 PYR 0.03874 0.4057 3.53535
10 3DWB RDF 0.01582 0.4093 4.0404
11 3MAN BMA BMA MAN 0.01236 0.43075 4.54545
12 3R6U CHT 0.01735 0.40834 4.54545
13 4YMU ARG 0.03667 0.40463 4.54545
14 1RL4 BRR 0.01129 0.42941 4.78723
15 3ZVS MLI 0.006188 0.41123 5
16 3E3U NVC 0.01191 0.41155 5.07614
17 4AR8 IP8 GLY PRO ALA 0.0001786 0.49292 5.55556
18 2CUN 3PG 0.03465 0.41663 5.55556
19 1Q3A NGH 0.01057 0.42627 6.06061
20 4TMN 0PK 0.003741 0.41061 6.06061
21 3AHO 3A2 0.000772 0.43537 6.56566
22 2ZXG S23 0.002479 0.41187 6.56566
23 1I7Q PYR 0.03107 0.40683 6.73575
24 4GAA BES 0.001201 0.45443 7.07071
25 3MA0 XYP 0.02277 0.4133 7.07071
26 5MRH Q9Z 0.0294 0.40338 7.07071
27 1BKC INN 0.001112 0.46556 7.57576
28 2VT3 ATP 0.006125 0.42945 7.57576
29 1FAO 4IP 0.00233 0.46542 7.93651
30 4L8F MTX 0.04667 0.40051 8.08081
31 2X1L ADN 0.01818 0.41012 8.58586
32 2R0D 4IP 0.02314 0.41293 9.09091
33 4KX8 L2O VAL VAL ASP 0.008733 0.40419 9.09091
34 3R75 PYR 0.01517 0.42427 10.101
35 1SGJ OAA 0.01225 0.40959 10.101
36 4WKI 3PW 0.009598 0.41992 10.6061
37 2GJP MAL 0.04895 0.4069 10.6061
38 4ZW3 4S9 0.005809 0.40358 10.6061
39 4KAX 4IP 0.0364 0.40247 11.1801
40 1Y79 LYS TRP 0.01247 0.42259 13.6364
41 1FHX 4IP 0.01915 0.41728 13.9535
42 4IN9 SER TRP PHE PRO 0.01343 0.42614 15.0602
43 5JSP DQY 0.009584 0.43472 16.1616
44 4DV8 0LX 0.002795 0.41641 21.2121
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