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6HE2

Crystal structure of an open conformation of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in complex with 2-HIB-AMP and CoA

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0016874molecular_functionligase activity
B0000166molecular_functionnucleotide binding
B0016874molecular_functionligase activity
Functional Information from PDB Data
site_idAC1
Number of Residues17
Detailsbinding site for residue AMP A 501
ChainResidue
ALYS86
AALA268
AGLU269
AASP333
AILE355
A8LE502
AHOH614
AHOH645
AHOH689
AGLY240
AGLU241
APRO242
AASP263
ACYS264
AGLY265
ASER266
AMET267

site_idAC2
Number of Residues17
Detailsbinding site for residue 8LE A 502
ChainResidue
ASER239
AGLY240
AGLU241
APRO242
AASP263
ACYS264
AGLY265
ASER266
AALA268
APHE273
AASP333
AILE355
AAMP501
AHOH614
AHOH645
AHOH689
AHOH714

site_idAC3
Number of Residues10
Detailsbinding site for residue COA A 503
ChainResidue
AGLY187
AALA188
AGLY190
ASER192
ASER212
ATYR213
AHIS216
AHOH606
AHOH647
AHOH699

site_idAC4
Number of Residues17
Detailsbinding site for residue AMP B 501
ChainResidue
BLYS86
BGLY240
BGLU241
BPRO242
BASP263
BCYS264
BGLY265
BSER266
BALA268
BGLU269
BASP333
BILE355
B8LE502
BHOH601
BHOH621
BHOH625
BHOH708

site_idAC5
Number of Residues17
Detailsbinding site for residue 8LE B 502
ChainResidue
BSER239
BGLY240
BGLU241
BPRO242
BASP263
BCYS264
BGLY265
BSER266
BALA268
BPHE273
BASP333
BILE355
BAMP501
BHOH601
BHOH621
BHOH625
BHOH654

site_idAC6
Number of Residues10
Detailsbinding site for residue COA B 503
ChainResidue
BGLY187
BGLY190
BSER192
BSER212
BTYR213
BHIS216
BHOH602
BHOH626
BHOH699
BHOH703

220113

PDB entries from 2024-05-22

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