6G59

Structure of the alanine racemase from Staphylococcus aureus in complex with an pyridoxal-6- phosphate derivative

?

Functional Information from GO Data

ChainGOidnamespacecontents
A0008784molecular_functionalanine racemase activity
A0030170molecular_functionpyridoxal phosphate binding
A0030632biological_processD-alanine biosynthetic process
B0008784molecular_functionalanine racemase activity
B0030170molecular_functionpyridoxal phosphate binding
B0030632biological_processD-alanine biosynthetic process
?

Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC110binding site for residue EM2 A 401
ChainResidue
ALYS39
ATYR43
AHIS168
AASN203
ASER204
AARG219
AGLY221
AILE222
ATYR354
AHOH525

AC29binding site for residue SO4 A 402
ChainResidue
AALA-1
AGLY0
APHE1
ASER2
ALYS4
AASP143
ATHR144
AARG185
AHOH552

AC33binding site for residue SO4 A 403
ChainResidue
ALYS49
AARG52
AHIS76

AC44binding site for residue SO4 A 404
ChainResidue
AHIS240
APRO243
AHIS335
AARG336

AC54binding site for residue SO4 A 405
ChainResidue
AARG290
AILE291
AGLN293
AARG309

AC63binding site for residue NA A 406
ChainResidue
AILE154
ATYR157
ALEU160

AC76binding site for residue NA A 407
ChainResidue
ATYR227
AVAL245
AASP333
AASN334
AVAL342
AHOH574

AC85binding site for residue NA A 408
ChainResidue
ASER262
ASER264
BGLY135
BMET136
BALA170

AC93binding site for residue CL A 409
ChainResidue
AHIS29
APRO30
AASN31

AD15binding site for residue SO4 B 402
ChainResidue
BHIS240
BPRO243
BHIS335
BARG336
BHOH542

AD24binding site for residue SO4 B 403
ChainResidue
BTYR5
BTYR10
BILE367
BARG374

AD34binding site for residue NA B 404
ChainResidue
BILE154
BTYR157
BLEU160
BHOH547

AD43binding site for residue CL B 405
ChainResidue
BHIS29
BASN31
BLYS32

AD518binding site for Di-peptide EM2 B 401 and LYS B 39
ChainResidue
AASP313
BVAL37
BVAL38
BALA40
BASN41
BALA42
BTYR43
BALA63
BALA65
BGLU69
BHIS168
BASN203
BSER204
BARG219
BGLY221
BILE222
BTYR354
BHOH536

?

Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
EM2_6g59_A_40119(6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
ChainResidueligand
AVAL37EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
ALYS39EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
ATYR43EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
ALEU85EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
ALYS131EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
APHE166EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
AHIS168EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
AASN203-ALA205EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
AARG219-SER223EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
APRO229EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
ATYR354EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BTYR265EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BASP313EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

EM2_6g59_B_40119(6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate binding site
ChainResidueligand
ATYR265EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
AASP313EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BVAL37EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BLYS39EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BTYR43EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BLEU85EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BLYS131EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BARG138EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BPHE166EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BHIS168EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BASN203-ALA205EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BARG219-ILE222EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BPRO229EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
BTYR354EM2: (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

?

Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
?

Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
?

Catalytic Information from CSA

site_idNumber of ResiduesDetails