Receptor
PDB id Resolution Class Description Source Keywords
2A4W 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MITOMYCIN C-BINDING PROTEIN COMPLEXED WITH COPPER(II)-BLEOMYCIN A2 STREPTOMYCES CAESPITOSUS ALFA/BETA PROTEIN MITOMYCIN C-BINDING PROTEIN COPPER(II)- BLEOMYCIN A2 STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECTON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES ANTIMICROBIAL PROTEIN
Ref.: THE MITOMYCIN C (MMC)-BINDING PROTEIN FROM MMC-PRODUCING MICROORGANISMS PROTECTS FROM THE LETHAL EFFECT OF BLEOMYCIN: CRYSTALLOGRAPHIC ANALYSIS TO ELUCIDATE THE BINDING MODE OF THE ANTIBIOTIC TO THE PROTEIN J.MOL.BIOL. V. 360 398
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BLM A:750;
Valid;
none;
submit data
1416.56 C55 H85 N17 O21 S3 Cc1c(...
CU A:751;
Invalid;
none;
submit data
63.546 Cu [Cu+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2A4W 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MITOMYCIN C-BINDING PROTEIN COMPLEXED WITH COPPER(II)-BLEOMYCIN A2 STREPTOMYCES CAESPITOSUS ALFA/BETA PROTEIN MITOMYCIN C-BINDING PROTEIN COPPER(II)- BLEOMYCIN A2 STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECTON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES ANTIMICROBIAL PROTEIN
Ref.: THE MITOMYCIN C (MMC)-BINDING PROTEIN FROM MMC-PRODUCING MICROORGANISMS PROTECTS FROM THE LETHAL EFFECT OF BLEOMYCIN: CRYSTALLOGRAPHIC ANALYSIS TO ELUCIDATE THE BINDING MODE OF THE ANTIBIOTIC TO THE PROTEIN J.MOL.BIOL. V. 360 398
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2A4W - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
2 1KLL - MC C14 H16 N4 O5 CC1=C(C(=O....
3 2A4X - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2A4W - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
2 1KLL - MC C14 H16 N4 O5 CC1=C(C(=O....
3 2A4X - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2A4W - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
2 1KLL - MC C14 H16 N4 O5 CC1=C(C(=O....
3 2A4X - BLM C55 H85 N17 O21 S3 Cc1c(nc(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BLM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BLM 1 1
2 BY6 CU 0.755102 0.873563
3 CU BLM 0.673077 0.943182
4 52G 0.553648 0.855556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2A4W; Ligand: BLM; Similar sites found: 83
This union binding pocket(no: 1) in the query (biounit: 2a4w.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL 0.001202 0.47533 None
2 2BOS GLA GAL GLC 0.002284 0.45344 None
3 1SN0 T44 0.003053 0.44567 None
4 1QY1 PRZ 0.003216 0.42123 None
5 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.006579 0.4143 None
6 4P7X YCP 0.01158 0.40651 None
7 5EFW FMN 0.009951 0.40623 None
8 1I06 TZL 0.03352 0.40564 None
9 3KFF ZBT 0.03748 0.40305 None
10 3KFF XBT 0.03748 0.40305 None
11 4IAW LIZ 0.004843 0.44033 2.17391
12 2HZQ STR 0.01908 0.41938 2.17391
13 2YG2 S1P 0.009642 0.40368 2.17391
14 1M6P M6P 0.008857 0.43634 2.89855
15 4GCZ FMN 0.01011 0.40591 2.89855
16 4EE7 PIS 0.01663 0.40227 2.89855
17 3O5N BR0 0.0254 0.41378 3.57143
18 4QCK ASD 0.001326 0.45855 3.62319
19 5JSP DQY 0.003772 0.45797 3.62319
20 4R38 RBF 0.006908 0.41006 3.62319
21 1DZT ATY 0.04301 0.40387 3.62319
22 5LN8 GAL 0.01616 0.41942 3.81679
23 3ZGJ RMN 0.003696 0.45637 4.34783
24 2CM4 RCL 0.00156 0.43477 4.34783
25 5KJW 53C 0.01293 0.43004 4.34783
26 5F6U 5VK 0.009311 0.42635 4.34783
27 3QRC SCR 0.007698 0.42459 4.34783
28 2WKQ FMN 0.01158 0.40326 4.34783
29 1N5S ADL 0.01757 0.40139 4.46429
30 1Y7P RIP 0.002649 0.47168 5.07246
31 5D6T NGA 0.01789 0.43005 5.07246
32 4XBT FLC 0.005851 0.42011 5.07246
33 4XBT 3ZQ 0.006281 0.4187 5.07246
34 5KEW 6SB 0.02076 0.41686 5.07246
35 5FYR INS 0.03872 0.40859 5.07246
36 4BXF AKG 0.03517 0.40552 5.07246
37 3M3E GAL A2G NPO 0.02411 0.40367 5.07246
38 5GM5 CBI 0.0148 0.40159 5.07246
39 1OGX EQU 0.009877 0.41681 5.34351
40 1N9L FMN 0.01224 0.40218 5.50459
41 5FU3 BGC BGC BGC 0.007043 0.44312 5.66038
42 4MJ0 SIA SIA GAL 0.01282 0.42884 5.7971
43 5A1S FLC 0.02809 0.41156 5.7971
44 5DGR GCS 0.02795 0.40986 5.7971
45 2VFT SOR 0.0213 0.40797 5.7971
46 2GOO NDG 0.02195 0.40495 6.14035
47 3T50 FMN 0.01246 0.40182 6.25
48 5AIG VPR 0.006317 0.43455 6.4
49 5X7Q GLC GLC GLC GLC 0.008423 0.42759 6.52174
50 5X7Q GLC GLC GLC GLC GLC 0.01142 0.41852 6.52174
51 4K3H 1OM 0.004899 0.41663 6.77966
52 1SQI 869 0.001673 0.44925 7.24638
53 4RLT FSE 0.009986 0.42045 7.24638
54 4WUJ FMN 0.007031 0.41301 7.24638
55 2ZL7 FUC GAL NGA 0.02859 0.41169 7.24638
56 5K21 6QF 0.02052 0.40879 7.24638
57 3AVR OGA 0.03425 0.40719 7.24638
58 4GC1 MAN MAN 0.009453 0.40418 7.24638
59 2BYC FMN 0.02091 0.40115 7.29927
60 1DZK PRZ 0.01654 0.40263 7.97101
61 4MA6 28E 0.01228 0.42883 8.69565
62 4JH6 FCN 0.002827 0.45711 9.42029
63 5SVV FMN 0.008779 0.40548 9.48905
64 4FFG LBS 0.001128 0.47035 10.1449
65 2G30 ALA ALA PHE 0.002368 0.46361 10.1449
66 4FFG 0U8 0.02216 0.40568 10.1449
67 1GT4 UNA 0.01847 0.40037 10.1449
68 4K55 H6P 0.01661 0.41379 11.2903
69 2Z77 HE7 0.01034 0.40234 11.5108
70 1H8S AIC 0.009113 0.43097 11.5942
71 5KWY C3S 0.01179 0.40955 12.0301
72 2R5V HHH 0.0174 0.40859 12.3188
73 5I0U DCY 0.02214 0.40712 12.3188
74 3RGA LSB 0.004104 0.43103 13.0435
75 1TFZ 869 0.003196 0.42478 14.4928
76 4QDF 30Q 0.0007743 0.46489 15.2174
77 5C3R HMU 0.003971 0.42783 16.6667
78 5C3R AKG 0.003971 0.42783 16.6667
79 4DSU BZI 0.006058 0.45085 17.3913
80 3GM5 CIT 0.01292 0.42691 18.8406
81 2YP6 C6W 0.001941 0.48403 21.7391
82 4M1U A2G MBG 0.01453 0.41262 31.1594
83 5V3D FCN 0.01195 0.4338 39.3103
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