Error in docking

HADDOCK
1

hey,
when I’m using HADDOCK for docking it shows error-

There was an inconsistency in your data
Error message
First PDB file contains multiple residues with number 28 in chain A

MY FILE-
ATOM 1 N SER A 28 64.897 12.514 42.098 1.00 0.00 N
ATOM 2 CA SER A 28 63.960 11.468 42.495 1.00 0.00 C
ATOM 3 C SER A 28 62.866 12.027 43.375 1.00 0.00 C
ATOM 4 O SER A 28 63.065 12.168 44.608 1.00 0.00 O
ATOM 5 CB SER A 28 64.701 10.295 43.183 1.00 0.00 C
ATOM 6 OG SER A 28 65.615 9.624 42.309 1.00 0.00 O
Thanks in advance.

The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to http://www.bonvinlab.org/software/haddock2.2

2

Hi,
you might have a residue with multiple occupancy values. If this is the case, you can use our new webserver pdb-tools ( https://bianca.science.uu.nl/pdbtools/submit ) and use the script: pdb_selaltloc to select only one version of the residue and make your pdb ready for docking.

3

There must be another residue with number 28…

4

how can i resiolve this issue???

5

Check you PDB file for duplications of residue numbers!!!

6

my PDB file has 4 chains and I’m using only chain A and I checked my file there is no duplicity in chain A.

7

Then simply try to remove all chains before uploading to the server.

Did you tell the server to only use chain A?

8

yes I’ll tell the chain A