Receptor
PDB id Resolution Class Description Source Keywords
5FCF 1.85 Å EC: 3.4.13.9 CRYSTAL STRUCTURE OF XAA-PRO DIPEPTIDASE FROM XANTHOMONAS CA PHOSPHATE AND MN BOUND XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS 33913 XAA-PRO DIPEPTIDASE PROLIDASE M24 FAMILY PHOSPHATE HYDRO
Ref.: CRYSTAL STRUCTURE AND BIOCHEMICAL INVESTIGATIONS RE NOVEL MODE OF SUBSTRATE SELECTIVITY AND ILLUMINATE INHIBITION AND ALLOSTERICITY IN A SUBFAMILY OF XAA-DIPEPTIDASES. BIOCHIM. BIOPHYS. ACTA V.1865 153 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN B:401;
A:401;
B:402;
A:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
GOL A:404;
A:405;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PO4 A:403;
B:403;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
PEG B:404;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
GLY GLY GLY C:1;
Valid;
none;
submit data
189.171 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FCF 1.85 Å EC: 3.4.13.9 CRYSTAL STRUCTURE OF XAA-PRO DIPEPTIDASE FROM XANTHOMONAS CA PHOSPHATE AND MN BOUND XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS 33913 XAA-PRO DIPEPTIDASE PROLIDASE M24 FAMILY PHOSPHATE HYDRO
Ref.: CRYSTAL STRUCTURE AND BIOCHEMICAL INVESTIGATIONS RE NOVEL MODE OF SUBSTRATE SELECTIVITY AND ILLUMINATE INHIBITION AND ALLOSTERICITY IN A SUBFAMILY OF XAA-DIPEPTIDASES. BIOCHIM. BIOPHYS. ACTA V.1865 153 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5FCH - GLY GLY GLY n/a n/a
2 5FCF - GLY GLY GLY 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 3 families.
1 5FCH - GLY GLY GLY n/a n/a
2 5FCF - GLY GLY GLY 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 3 families.
1 5FCH - GLY GLY GLY n/a n/a
2 5FCF - GLY GLY GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY GLY GLY; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLY GLY 1 1
2 GLY GLY 0.75 0.870968
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FCF; Ligand: GLY GLY GLY; Similar sites found: 43
This union binding pocket(no: 1) in the query (biounit: 5fcf.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5X8I SQZ 0.01218 0.40033 1.15607
2 2Z7R STU 0.01253 0.40897 1.55763
3 5LXC 7AA 0.002602 0.43988 1.75439
4 2XZ9 PYR 0.004392 0.41973 1.85185
5 3SLS ANP 0.02164 0.40855 1.97368
6 2JAJ D20 0.005005 0.43161 2.07612
7 2YAB AMP 0.01379 0.40871 2.21607
8 5LD5 NAD 0.03493 0.4096 2.23464
9 3KB6 LAC 0.006769 0.41853 2.39521
10 5JFS 6K0 0.005393 0.44722 2.5974
11 3HMO STU 0.009118 0.40896 2.63158
12 4O1P ANP 0.01346 0.40385 2.75689
13 4QTB 38Z 0.009653 0.4196 2.89474
14 3PLS ANP 0.008725 0.41045 3.02013
15 4Y0X ADP 0.002102 0.43441 3.46667
16 5TO8 7FM 0.0469 0.4001 3.5461
17 4PIV NDP 0.04483 0.40342 3.63636
18 5MY8 RXZ 0.009279 0.41924 3.65535
19 4JD3 PLM 0.04762 0.40726 3.96601
20 4JD3 COA 0.04623 0.40726 3.96601
21 5LXM ADP 0.01369 0.40491 4.24028
22 5M06 ADP 0.02291 0.40139 4.34783
23 5C03 AGS 0.007798 0.42797 4.38596
24 1G8K MGD 0.02974 0.40485 4.51128
25 1K3A ACP 0.01696 0.40525 4.68227
26 4BHN BH9 0.007231 0.42719 4.79042
27 4ASE AV9 0.007001 0.42593 4.81586
28 4RVU NDP 0.02068 0.4077 4.81928
29 4L3L 5FI 0.02843 0.40292 5.26316
30 2JLD AG1 0.01586 0.41029 5.51378
31 4WUJ FMN 0.03775 0.40118 6.12245
32 4M69 ANP 0.00322 0.45075 6.36042
33 2WU6 DKI 0.006371 0.42587 6.56168
34 4A4X JUP 0.01411 0.41451 6.81004
35 4BCM T7Z 0.006279 0.42727 7.6412
36 5U6C 7YS 0.0128 0.40327 7.93651
37 4YZC STU 0.02216 0.41154 8.5213
38 4FG8 ATP 0.01173 0.40604 8.57143
39 5DKK FMN 0.01307 0.41479 8.96552
40 4IDT T28 0.01282 0.40793 8.98876
41 5USZ SKE 0.01216 0.42184 9.52381
42 5EYK 5U5 0.01069 0.42689 13.5593
43 5L8L ADP 0.01541 0.40399 14.5299
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