DeepMolecules

Enzyme	MVFDLKRIVRPK ... YFKETLYKLANE MVFDLKRIVRPKIYNLEPYRCARDDFTEGILLDANENAHGPTPVELSKTNLHRYPDPHQLEFKTAMTKYRNKTSSYANDPEVKPLTADNLCLGVGSDESIDAIIRACCVPGKEKILVLPPTYSMYSVCANINDIEVVQCPLTVSDGSFQMDTEAVLTILKNDSLIKLMFVTSPGNPTGAKIKTSLIEKVLQNWDNGLVVVDEAYVDFCGGSTAPLVTKYPNLVTLQTLSKSFGLAGIRLGMTYATAELARILNAMKAPYNISSLASEYALKAVQDSNLKKMEATSKIINEEKMRLLKELTALDYVDDQYVGGLDANFLLIRINGGDNVLAKKLYYQLATQSGVVVRFRGNELGCSGCLRITVGTHEENTHLIKYFKETLYKLANE
Metabolite	InChI=1S/C6H ... -1/t5-/m0/s1 InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/p-1/t5-/m0/s1
How often was metabolite in training set?	8
Prediction score	0.96

Based on experimental data in our database, the following proteins function as enzymes for the metabolite you entered:

UniProt ID	Gene ID	Sequence
P07172	HIS5	MVFDLKRIVRPK ... YFKETLYKLANE MVFDLKRIVRPKIYNLEPYRCARDDFTEGILLDANENAHGPTPVELSKTNLHRYPDPHQLEFKTAMTKYRNKTSSYANDPEVKPLTADNLCLGVGSDESIDAIIRACCVPGKEKILVLPPTYSMYSVCANINDIEVVQCPLTVSDGSFQMDTEAVLTILKNDSLIKLMFVTSPGNPTGAKIKTSLIEKVLQNWDNGLVVVDEAYVDFCGGSTAPLVTKYPNLVTLQTLSKSFGLAGIRLGMTYATAELARILNAMKAPYNISSLASEYALKAVQDSNLKKMEATSKIINEEKMRLLKELTALDYVDDQYVGGLDANFLLIRINGGDNVLAKKLYYQLATQSGVVVRFRGNELGCSGCLRITVGTHEENTHLIKYFKETLYKLANE
Q8NS80	hisN	MSKYADDLALAL ... GILHDETLDRLK MSKYADDLALALELAELADSITLDRFEASDLEVSSKPDMTPVSDADLATEEALREKIATARPADSILGEEFGGDVEFSGRQWIIDPIDGTKNYVRGVPVWATLIALLDNGKPVAGVISAPALARRWWASEGAGAWRTFNGSSPRKLSVSQVSKLDDASLSFSSLSGWAERDLRDQFVSLTDTTWRLRGYGDFFSYCLVAEGAVDIAAEPEVSLWDLAPLSILVTEAGGKFTSLAGVDGPHGGDAVATNGILHDETLDRLK
P06987	hisB	MSQKYLFIDRDG ... EGDTLPSSKGVL MSQKYLFIDRDGTLISEPPSDFQVDRFDKLAFEPGVIPELLKLQKAGYKLVMITNQDGLGTQSFPQADFDGPHNLMMQIFTSQGVQFDEVLICPHLPADECDCRKPKVKLVERYLAEQAMDRANSYVIGDRATDIQLAENMGITGLRYDRETLNWPMIGEQLTRRDRYAHVVRNTKETQIDVQVWLDREGGSKINTGVGFFDHMLDQIATHGGFRMEINVKGDLYIDDHHTVEDTGLALGEALKIALGDKRGICRFGFVLPMDECLARCALDISGRPHLEYKAEFTYQRVGDLSTEMIEHFFRSLSYTMGVTLHLKTKGKNDHHRVESLFKAFGRTLRQAIRVEGDTLPSSKGVL
P06986	hisC	MSTVTITDLARE ... QRVIDALRAEQV MSTVTITDLARENVRNLTPYQSARRLGGNGDVWLNANEYPTAVEFQLTQQTLNRYPECQPKAVIENYAQYAGVKPEQVLVSRGADEGIELLIRAFCEPGKDAILYCPPTYGMYSVSAETIGVECRTVPTLDNWQLDLQGISDKLDGVKVVYVCSPNNPTGQLINPQDFRTLLELTRGKAIVVADEAYIEFCPQASLAGWLAEYPHLAILRTLSKAFALAGLRCGFTLANEEVINLLMKVIAPYPLSTPVADIAAQALSPQGIVAMRERVAQIIAEREYLIAALKEIPCVEQVFDSETNYILARFKASSAVFKSLWDQGIILRDQNKQPSLSGCLRITVGTREESQRVIDALRAEQV
P0DI07	HPA1	MGVINVQGSPSF ... TDVLMECLKQFY MGVINVQGSPSFSIHSSESNLRKSRALKKPFCSIRNRVYCAQSSSAAVDESKNITMGDSFIRPHLRQLAAYQPILPFEVLSAQLGRKPEDIVKLDANENPYGPPPEVFEALGNMKFPYVYPDPQSRRLRDALAQDSGLESEYILVGCGADELIDLIMRCVLDPGEKIIDCPPTFSMYVFDAAVNGAGVIKVPRNPDFSLNVDRIAEVVELEKPKCIFLTSPNNPDGSIISEDDLLKILEMPILVVLDEAYIEFSGVESRMKWVKKYENLIVLRTFSKRAGLAGLRVGYGAFPLSIIEYLWRAKQPYNVSVAGEVAALAALSNGKYLEDVRDALVRERERLFGLLKEVPFLNPYPSYSNFILCEVTSGMDAKKLKEDLAKMGVMVRHYNSQELKGYVRVSAGKPEHTDVLMECLKQFY
P38635	HIS2	MHSHHSHSGDYS ... SQFVNDPFWANI MHSHHSHSGDYSAHGTDPLDSVVDQVVNLNFHTYCLTEHIPRIEAKFIYPEEQSLGKNPEEVITKLETSFKNFMSHAQEIKTRYADRPDVRTKFIIGMEIESCDMAHIEYAKRLMKENNDILKFCVGSVHHVNGIPIDFDQQQWYNSLHSFNDNLKHFLLSYFQSQYEMLINIKPLVVGHFDLYKLFLPNDMLVNQKSGNCNEETGVPVASLDVISEWPEIYDAVVRNLQFIDSYGGAIEINTSALRKRLEEPYPSKTLCNLVKKHCGSRFVLSDDAHGVAQVGVCYDKVKKYIVDVLQLEYICYLEESQSPENLLTVKRLPISQFVNDPFWANI
Q9K4B1	hisN	MPDYLDDLRLAH ... HDELLGYLNQRY MPDYLDDLRLAHVLADAADAATMDRFKALDLKVETKPDMTPVSEADKAAEELIRGHLSRARPRDSVHGEEFGVAGTGPRRWVIDPIDGTKNYVRGVPVWATLIALMEAKEGGYQPVVGLVSAPALGRRWWAVEDHGAFTGRSLTSAHRLHVSQVSTLSDASFAYSSLSGWEEQGRLDGFLDLTREVWRTRAYGDFWPYMMVAEGSVDLCAEPELSLWDMAANAIIVTEAGGTFTGLDGRPGPHSGNAAASNGRLHDELLGYLNQRY
Q6NPM8	IMPL2	MLAQSHFFSKSF ... IHQQALESLEWH MLAQSHFFSKSFDLIPPQSPALRSANPSLRISSSYSNSRLSFLSSSAIAVPVSRRRFCLTMASNSKRPNISNESPSELSDTELDRFAAVGNALADASGEVIRKYFRKKFDIVDKDDMSPVTIADQMAEEAMVSIIFQNLPSHAIYGEEKGWRCKEESADYVWVLDPIDGTKSFITGKPVFGTLIALLYKGKPILGLIDQPILKERWIGMNGRRTKLNGEDISTRSCPKLSQAYLYTTSPHLFSEEAEKAYSRVRDKVKVPLYGCDCYAYALLASGFVDLVIESGLKPYDFLALVPVIEGAGGTITDWTGKRFLWEASSSAVATSFNVVAAGDSDIHQQALESLEWH

Based on experimental data in our database, the following molecules are substrates for the enzyme you entered:

Molecule ID	InChI String	Copy
CHEBI:57980	InChI=1S/C6H12N3O4P/c7-5( ... 2,10,11,12)/p-1/t5-/m0/s1 InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/p-1/t5-/m0/s1
CHEBI:16810	InChI=1S/C5H6O5/c6-3(5(9) ... 1-2H2,(H,7,8)(H,9,10)/p-2 InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2

We computed the following kinetic parameters with our prediction model for the enzyme and enzyme-metabolite pair you provided:

Parameter	Value	Model Input
Turnover Number k_cat	33.12 [1/sec]	Enzyme
Michaelis constant K_M	0.24 [mM]	Enzyme-Metabolite-Pair

Warning Pictogram K_M predictions are only meaningful if the ESP prediction score (see Main results) is above 0.5.

The predicted k_cat is represented by the green vertical line, showing its position among all experimental values (see Turnover number predictions for kinetically uncharacterized enzymes using machine and deep learning). The red dotted lines indicate the median of the distribution.

The predicted K_M is represented by the green vertical line, showing its position among all experimental values (see Deep learning allows genome-scale prediction of Michaelis constants from structural features). The red dotted lines indicate the median of the distribution.

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