SitesBLAST

P07547 Pentafunctional AROM polypeptide; EC 4.2.3.4; EC 2.5.1.19; EC 2.7.1.71; EC 4.2.1.10; EC 1.1.1.25 from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans) (see 2 papers)
37% identity, 53% coverage: 258:566/588 of query aligns to 41:375/1583 of P07547

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P07547

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DTN 44:46 (≠ DEN 261:263) binding NAD(+)
EVSK 81:84 (≠ EGSK 292:295) binding NAD(+)
GGV 114:116 (= GGV 323:325) binding NAD(+)
D119 (= D328) binding NAD(+)
TT 139:140 (≠ TS 348:349) binding NAD(+)
K161 (= K370) binding NAD(+)
FLET 179:182 (≠ SLET 388:391) binding NAD(+)
N190 (≠ A399) binding NAD(+)
E194 (= E403) binding Zn(2+)
H271 (= H465) binding Zn(2+)
H287 (= H484) binding Zn(2+)

Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
33% identity, 60% coverage: 221:572/588 of query aligns to 2:338/354 of Q6GGU4

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Q6GGU4

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D39 (= D261) binding NAD(+)
Y45 (≠ H267) binding NAD(+)
EKTK 68:71 (≠ EGSK 292:295) binding NAD(+)
GATGD 100:104 (≠ GVVGD 324:328) binding NAD(+)
TT 124:125 (≠ TS 348:349) binding NAD(+)
K136 (= K361) binding NAD(+)
K145 (= K370) binding NAD(+)
FLKT 163:166 (≠ SLET 388:391) binding NAD(+)
E178 (= E403) binding Zn(2+)
H242 (= H465) binding Zn(2+)
H256 (= H484) binding Zn(2+)

1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
33% identity, 60% coverage: 221:572/588 of query aligns to 2:338/353 of 1xagA

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1xagA

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active site: R115 (= R339), K136 (= K361), E178 (= E403), K221 (= K444), E231 (= E454), R235 (= R458), N239 (= N462), H242 (= H465), H246 (= H469), H256 (= H484)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K361), N146 (= N371), E178 (= E403), K221 (= K444), R235 (= R458), L238 (= L461), N239 (= N462), H242 (= H465), H246 (= H469), K314 (= K547)
binding nicotinamide-adenine-dinucleotide: D39 (= D261), Y41 (≠ N263), V42 (= V264), Y45 (≠ H267), E68 (= E292), K71 (= K295), G99 (= G323), G100 (= G324), A101 (≠ V325), D104 (= D328), T124 (= T348), T125 (≠ S349), L127 (= L351), D130 (= D355), S131 (= S356), K136 (= K361), K145 (= K370), T166 (= T391), L167 (= L392), Q171 (≠ E396), H256 (= H484)
binding zinc ion: E178 (= E403), H242 (= H465), H256 (= H484)

6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
36% identity, 57% coverage: 235:569/588 of query aligns to 23:371/385 of 6c5cA

query
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6c5cA

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active site: R130 (= R339), K152 (= K361), E194 (= E403), K246 (= K444), E254 (= E454), R258 (= R458), N262 (= N462), H265 (= H465), H269 (= H469), H281 (= H484)
binding nicotinamide-adenine-dinucleotide: D45 (= D261), N47 (= N263), M48 (≠ V264), E83 (= E292), K86 (= K295), G114 (= G323), G115 (= G324), V116 (= V325), D119 (= D328), T139 (= T348), T140 (≠ S349), D146 (= D355), S147 (= S356), F179 (≠ S388), T182 (= T391), L183 (= L392), Q187 (≠ E396)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
39% identity, 51% coverage: 274:574/588 of query aligns to 62:350/362 of P9WPX9

query
sites
P9WPX9

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DAEAGK 73:78 (≠ PGEGSK 290:295) binding NAD(+)
GAATD 107:111 (≠ GVVGD 324:328) binding NAD(+)
TT 131:132 (≠ TS 348:349) binding NAD(+)
K144 (= K361) binding NAD(+)
TLQT 171:174 (≠ SLET 388:391) binding NAD(+)

Sites not aligning to the query:

45 binding NAD(+)

3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
38% identity, 51% coverage: 274:574/588 of query aligns to 57:341/352 of 3qbeA

query
sites
3qbeA

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active site: R117 (= R339), K139 (= K361), E181 (= E403), K223 (= K444), R233 (= R458), N237 (= N462), H240 (= H465), H244 (= H469), H256 (= H484)
binding zinc ion: E181 (= E403), H240 (= H465), H256 (= H484)

Query Sequence

>WP_020174079.1 NCBI__GCF_000385335.1:WP_020174079.1
MSSGISPAPISDDGRLHDRRAAPVLSALGGRPIVLVGMMGSGKTSTGRRLAQRLGLNFVD
ADVVIEQAAAMSIEDIFARHGEAYFRDGEKRVMARLLGEGPRVLATGGGAFMNAEVRERI
AAEGISIWLKADFDVLWRRVRRRTTRPLLNNAEPEVTLRRLIEERYPVYAQADITVQSHE
GSHDDVVDEMMAQLEAFLASPDLASGYGKSISGKNVSKLEKIGVKLSGRGYDILIGDGLI
EEAGDHIKRLAPGAACAIVTDENVARHHLPALERGLDAAQIKHAKIIVAPGEGSKTYSVF
ERVCDEIIGAKIERNDLVVALGGGVVGDLAGYAAASVRRGMRFIQIPTSLLAQVDSSVGG
KTGINSPYGKNLIGAFHQPSLVLADTGSLETLPVREFRAGYAEIVKYGLINDLALFDWLE
ASWQEVFAGGEARSRAIAKSCAAKAGVVARDERETGERALLNLGHTFGHALERVTGYDGS
RLVHGEGVAIGMACAFRFSARRGLCPAQDAERVALHLKSVGLPTRFRDIAGWDAGAEQIL
DAMYQDKKVEHGALTFILAHGIGKCFVAKTVDPGEVLAFLKDELNAGL

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory