Receptor
PDB id Resolution Class Description Source Keywords
3O9P 2.07 Å NON-ENZYME: BINDING THE STRUCTURE OF THE ESCHERICHIA COLI MUREIN TRIPEPTIDE BIND PROTEIN MPPA ESCHERICHIA COLI OLIGOPEPTIDE BINDING PROTEINS MUREIN TRIPEPTIDE PERIPLASMIPROTEIN PEPTIDE BINDING PROTEIN-PEPTIDE COMPLEX
Ref.: COMPENSATING STEREOCHEMICAL CHANGES ALLOW MUREIN TR TO BE ACCOMMODATED IN A CONVENTIONAL PEPTIDE-BINDIN PROTEIN. J.BIOL.CHEM. V. 286 31512 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MHI A:516;
Valid;
none;
Kd = 0.3 uM
390.389 C15 H26 N4 O8 C[C@@...
ZN A:517;
A:518;
A:519;
A:520;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O9P 2.07 Å NON-ENZYME: BINDING THE STRUCTURE OF THE ESCHERICHIA COLI MUREIN TRIPEPTIDE BIND PROTEIN MPPA ESCHERICHIA COLI OLIGOPEPTIDE BINDING PROTEINS MUREIN TRIPEPTIDE PERIPLASMIPROTEIN PEPTIDE BINDING PROTEIN-PEPTIDE COMPLEX
Ref.: COMPENSATING STEREOCHEMICAL CHANGES ALLOW MUREIN TR TO BE ACCOMMODATED IN A CONVENTIONAL PEPTIDE-BINDIN PROTEIN. J.BIOL.CHEM. V. 286 31512 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 C[C@@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 C[C@@H](C(....
50% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 C[C@@H](C(....
2 1B5H Kd = 0.97 uM LYS DPP LYS n/a n/a
3 1B3G Kd = 200 nM LYS ILE LYS n/a n/a
4 1B40 Kd = 53 nM LYS PHE LYS n/a n/a
5 1JET Kd = 56 nM LYS ALA LYS n/a n/a
6 1B5I Kd = 90 nM LYS ASN LYS n/a n/a
7 1B5J Kd = 37 nM LYS GLN LYS n/a n/a
8 2OLB Kd = 2900 nM LYS LYS LYS n/a n/a
9 1B6H Kd = 0.015 uM LYS NVA LYS n/a n/a
10 1B7H Kd = 0.0095 uM LYS NLE LYS n/a n/a
11 1B0H Kd = 0.2 uM LYS ALN LYS n/a n/a
12 1B46 Kd = 5200 nM LYS PRO LYS n/a n/a
13 1B4Z Kd = 5900 nM LYS ASP LYS n/a n/a
14 1B3L Kd = 1300 nM LYS GLY LYS n/a n/a
15 1QKA Kd = 1200 nM LYS ARG LYS n/a n/a
16 1B3F Kd = 130 nM LYS HIS LYS n/a n/a
17 1B52 Kd = 76 nM LYS THR LYS n/a n/a
18 1OLA - VAL LYS PRO GLY n/a n/a
19 1B2H Kd = 29 uM LYS ORN LYS n/a n/a
20 1B4H Kd = 3.44 uM LYS DAB LYS n/a n/a
21 1B9J Kd = 1100 nM LYS LEU LYS n/a n/a
22 1OLC Kd = 2.7 uM LYS LYS LYS ALA n/a n/a
23 1B3H Kd = 0.62 uM LYS ALC LYS n/a n/a
24 1JEU Kd = 150 nM LYS GLU LYS n/a n/a
25 2RKM Ki = 125 uM LYS LYS n/a n/a
26 1B51 Kd = 43 nM LYS SER LYS n/a n/a
27 1B58 Kd = 260 nM LYS TYR LYS n/a n/a
28 1JEV Kd = 130 nM LYS TRP LYS n/a n/a
29 1QKB Kd = 45 nM LYS VAL LYS n/a n/a
30 1B1H Kd = 0.093 uM LYS HPE LYS n/a n/a
31 1B32 Kd = 79 nM LYS MET LYS n/a n/a
32 1B05 Kd = 75 nM LYS CYS LYS n/a n/a
33 3TCG Kd = 0.00000145 M LYS GLY GLU n/a n/a
34 2Z23 - LYS LYS LYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MHI; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 MHI 1 1
2 J0J 0.75 0.971429
3 3KS 0.728814 0.971429
4 KKA 0.442623 0.815789
5 VB1 0.439394 0.871795
6 3GC 0.431034 0.789474
7 M8F 0.428571 0.809524
8 W05 0.41791 0.894737
9 ACV 0.405797 0.85
10 6X4 0.402597 0.809524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O9P; Ligand: MHI; Similar sites found: 6
This union binding pocket(no: 1) in the query (biounit: 3o9p.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZH4 FLC 0.02136 0.40077 1.90931
2 4FE2 ASP 0.01821 0.41012 5.09804
3 4NZ6 DLY 0.02677 0.40315 5.43131
4 4Z3X MTE 0.04704 0.4013 6.14525
5 4Z3X 4KX 0.0496 0.4013 6.14525
6 4FAJ LEU VAL THR LEU VAL PHE VAL 0.00006439 0.40398 44.894
Pocket No.: 2; Query (leader) PDB : 3O9P; Ligand: MHI; Similar sites found: 84
This union binding pocket(no: 2) in the query (biounit: 3o9p.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BGV GLU 0.00002918 0.44561 1.55902
2 1SAZ ACP 0.000001716 0.42062 1.5748
3 1AL8 FMN 0.00001027 0.42706 1.67131
4 2Z5Y HRM 0.00004635 0.46962 1.75439
5 3TI8 LNV 0.0006149 0.40644 1.77215
6 3I8P 840 0.009668 0.42421 1.87354
7 1DXY NAD 0.0000379 0.40282 2.1021
8 3NKT 1HN 0.002849 0.4161 2.17391
9 2YP9 SIA CMO 0.002345 0.44789 2.18688
10 2Z9V PXM 0.04103 0.41471 2.29592
11 2NCD ADP 0.0363 0.42149 2.38095
12 3D2M COA 0.000000242 0.45176 2.41228
13 5A2J ALA PRO ASP THR ARG PRO 0.04902 0.43192 2.45902
14 3LTW HLZ 0.04122 0.42318 2.5
15 3OYZ ACO 0.0008405 0.40843 2.54042
16 1W31 SHO 0.000001413 0.44134 2.63158
17 2PN6 GLN 0.000005991 0.40682 2.66667
18 1TV5 N8E 0.002675 0.4397 2.7088
19 1TV5 A26 0.002069 0.43334 2.7088
20 1TV5 ORO 0.005524 0.43252 2.7088
21 1T26 NAI 0.00003967 0.40367 2.79503
22 1T26 GBD 0.00003967 0.40367 2.79503
23 1Z44 FMN 0.03138 0.40579 2.95858
24 1SAY PYR 0.00000003698 0.47945 3.04709
25 2X61 NGA GAL SIA 0.000003918 0.40056 3.10078
26 2WA4 069 0.0474 0.40108 3.15186
27 4M7J KDA KDO KDO 0.008662 0.46705 3.19635
28 2PP3 LGT 0.002736 0.41532 3.26633
29 2WL9 MBD 0.004174 0.41597 3.27869
30 4TMK T5A 0.000006233 0.42815 3.28639
31 2C9O ADP 0.0008871 0.41901 3.28947
32 1X1T NAD 0.000005454 0.40759 3.46154
33 1WDA BAG 0.03791 0.41249 3.46821
34 1Y42 TYR 0.03719 0.41678 3.57143
35 5D6C 57S 0.004498 0.49797 3.63636
36 1J2Z SOG 0.0003143 0.40302 3.7037
37 4G1V FAD 0.000001692 0.43227 3.7594
38 1SQ5 ADP 0.01728 0.42062 3.8961
39 2P8B NSK 0.0000001123 0.46301 4.06504
40 5T63 ALA ALA ALA ALA 0.0003836 0.46061 4.08719
41 4M4Q 21A 0.01042 0.40174 4.14938
42 4E28 9MZ 0.03282 0.42829 4.30769
43 3F81 STT 0.01771 0.46009 4.37158
44 1YOA FMN 0.02599 0.46559 4.40252
45 2C5S AMP 0.04845 0.40744 4.60048
46 1PJ6 FOL 0.0003376 0.4044 4.62428
47 1VQ2 DDN 0.000000004985 0.45821 4.66321
48 1I0Z OXM 0.007365 0.48164 4.8048
49 4COQ SAN 0.01774 0.44198 4.81696
50 1YBQ BDH 0.00173 0.40283 4.87179
51 2QCX PF1 0.01609 0.43906 4.94297
52 1KW6 BPY 0.000005843 0.40024 5.13699
53 2BMK PDD 0.03092 0.43209 5.39499
54 2BJF DXC 0.0004179 0.40642 5.47112
55 4Q3S X7A 0.002938 0.41426 5.71429
56 3NFZ 3NF 0.03449 0.40727 5.8104
57 4FFS BIG 0.009586 0.40571 5.85774
58 1GXU 2HP 0.00006197 0.49009 6.59341
59 1RSD PSB 0.0004281 0.40557 6.61157
60 3WSJ MK1 0.00007097 0.41218 6.89655
61 3PHQ KDO 0.00006071 0.64021 6.91244
62 3A2Y TS5 0.02194 0.40611 7.1066
63 1JQN DCO 0.00006442 0.45113 7.32177
64 2WLT ASP 0.002229 0.41422 7.53012
65 2R7K AMZ 0.00004194 0.40379 7.75623
66 2R7K ACP 0.00004194 0.40379 7.75623
67 2IMP NAI 0.0000234 0.40016 8.14196
68 2F2U M77 0.008878 0.43756 8.20895
69 4A8T PAO 0.00000001446 0.44958 8.25959
70 3K9W 4PS 0.000002731 0.42802 8.55615
71 3K9W ADE 0.000002731 0.42802 8.55615
72 4IEN GDP 0.001549 0.4237 8.58896
73 4IEN COA 0.002509 0.40497 8.58896
74 1LGT BP3 0.00003265 0.41758 8.75421
75 1O9U ADZ 0.02216 0.45456 9.14286
76 1FW1 GSH 0.01849 0.41575 9.25926
77 1SJW NGV 0.00009803 0.43372 10.4167
78 3NGU ADP 0.03 0.40665 10.596
79 1T0S BML 0.01835 0.45264 12.4242
80 1JQ5 NAD 0.000002097 0.44562 12.4324
81 2V5E SCR 0.02054 0.46369 13.8614
82 1QD0 RR6 0.0348 0.4071 14.0625
83 2GJ3 FAD 0.000005159 0.41138 19.1667
84 3KPE TM3 0.01603 0.44424 31.3725
Feedback