1OG0

crystal structure of the mutant g226s of the tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from saccharomyces cerevisiae complexed with phenylalanine and manganese

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 247
  • Norm. En. per Res.: -4.101
• Hub Node: B(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-169.0497	-33.5933	-775.534	-978.177	245	47	23	30902	13	105	74
A-C	0.0	0.0	-57.9891	-57.9891	42	1	3	3040	0	4	1
A-D	0.0	1.8153	-9.0153	-7.2	22	4	1	989	0	0	4
B-C	0.0	1.7678	-7.0222	-5.2544	22	4	1	932	0	0	4
B-D	0.0	0.0	-74.4529	-74.4529	41	1	3	3341	0	4	1
B-F	-13.3442	-24.0936	-36.2872	-73.725	51	1	1	2163	1	28	28
B-H	0.0	0.0	-0.6195	-0.6195	19	0	0	169	0	4	7
C-D	-194.9055	-27.0922	-790.949	-1012.9467	247	40	23	31260	9	113	82
D-H	0.0	0.0	-3.3068	-3.3068	11	2	0	301	0	5	8
E-F	-174.1737	-29.4256	-734.188	-937.7873	238	56	23	30088	7	107	73
E-G	0.0	0.0	-62.9259	-62.9259	42	2	3	3208	0	4	1
E-H	0.0	1.8257	-8.851	-7.0253	22	4	1	1014	0	0	4
F-G	0.0	1.9332	-12.0016	-10.0684	22	1	1	972	0	0	4
F-H	0.0	0.0	-70.2398	-70.2398	40	2	3	3226	0	5	1
G-H	-171.3302	-18.2435	-782.22	-971.7937	245	33	23	30604	8	109	77

Interface residues

• A-B: ALA169A, ALA169B, ALA179A, ALA179B, ALA191A, ALA191B, ALA19A, ALA19B, ALA214A, ALA214B, ALA217A, ALA217B, ALA218A, ALA218B, ALA219A, ALA219B, ALA233A, ALA233B, ALA234A, ALA234B, ALA32A, ALA32B, ALA35A, ALA35B, ALA43A, ALA43B, ALA51A, ALA51B, ARG142A, ARG142B, ARG180A, ARG180B, ARG188A, ARG188B, ARG249A, ARG249B, ARG24A, ARG24B, ARG53A, ARG53B, ARG55A, ARG55B, ARG56A, ARG56B, ASN124A, ASN124B, ASN133A, ASN133B, ASN135A, ASN135B, ASN209A, ASN209B, ASN241A, ASN241B, ASN274A, ASN274B, ASP125A, ASP125B, ASP161A, ASP161B, ASP170A, ASP170B, ASP205A, ASP205B, ASP213A, ASP213B, ASP22A, ASP22B, ASP29A, ASP29B, CYS244A, CYS244B, GLN166A, GLN166B, GLN185A, GLN185B, GLN216A, GLN38A, GLN38B, GLU111B, GLU158A, GLU158B, GLU183A, GLU183B, GLU189A, GLU189B, GLU20A, GLU20B, GLU21A, GLU21B, GLU242A, GLU242B, GLU49A, GLU49B, GLY137A, GLY137B, GLY18A, GLY193A, GLY193B, GLY203A, GLY203B, GLY206A, GLY206B, GLY231A, GLY231B, GLY240A, GLY240B, GLY27A, GLY27B, HIS187A, HIS187B, HIS220A, HIS220B, HIS222A, HIS222B, HIS223A, HIS223B, HIS230A, HIS230B, HIS243A, HIS243B, ILE123A, ILE123B, ILE134A, ILE134B, ILE163A, ILE163B, ILE235A, ILE235B, ILE25A, ILE25B, ILE59A, ILE59B, ILE62A, ILE62B, LEU138A, LEU138B, LEU160A, LEU160B, LEU168A, LEU168B, LEU171A, LEU171B, LEU186A, LEU186B, LEU190A, LEU190B, LEU194A, LEU194B, LEU208A, LEU208B, LEU26A, LEU26B, LEU31A, LEU31B, LEU48A, LEU48B, LYS112B, LYS120A, LYS120B, LYS136A, LYS136B, LYS229A, LYS229B, LYS239A, LYS239B, LYS252A, LYS252B, LYS253A, LYS52A, LYS52B, MET159A, MET159B, MET225A, MET225B, PHE132A, PHE132B, PHE196A, PHE196B, PHE224A, PHE224B, PRO113B, PRO165A, PRO165B, PRO197A, PRO197B, PRO30A, PRO30B, PRO34A, PRO34B, PRO45A, PRO45B, SER164A, SER164B, SER184A, SER184B, SER192A, SER192B, SER195A, SER195B, SER221A, SER221B, SER226A, SER226B, SER33A, SER33B, SER47A, THR131A, THR131B, THR162A, THR162B, THR181A, THR181B, THR182A, THR182B, THR204A, THR204B, THR207A, THR207B, THR228A, THR228B, THR236A, THR236B, THR237A, THR237B, THR238A, THR238B, THR44A, TYR167A, TYR167B, TYR28A, TYR28B, VAL117B, VAL172A, VAL172B, VAL198A, VAL198B, VAL210A, VAL210B, VAL227A, VAL227B, VAL232A, VAL232B, VAL23A, VAL23B
• A-C: ALA233A, ALA233C, ALA32A, ALA32C, ALA35A, ALA35C, ASN133A, ASN133C, ASN135A, ASN135C, ASP29A, ASP29C, GLN139A, GLN139C, GLN38A, GLN38C, GLN40A, GLN40C, GLY231A, GLY231C, HIS230A, HIS230C, LEU31A, LEU31C, LEU36A, LEU36C, LEU37A, LEU37C, LYS229A, LYS229C, PRO30A, PRO30C, PRO34A, PRO34C, SER33A, SER33C, TYR28A, TYR28C, VAL232A, VAL232C, VAL39A, VAL39C
• A-D: ALA233A, ALA233D, ALA234A, ALA234D, ALA35A, GLY231A, GLY231D, HIS230A, HIS230D, ILE235A, ILE235D, LEU36A, LEU36D, LYS229A, SER33A, SER33D, THR228A, THR228D, VAL232A, VAL232D, VAL39A, VAL39D
• B-C: ALA233B, ALA233C, ALA234B, ALA234C, ALA35C, GLY231B, GLY231C, HIS230B, HIS230C, ILE235B, ILE235C, LEU36B, LEU36C, LYS229C, SER33B, SER33C, THR228B, THR228C, VAL232B, VAL232C, VAL39B, VAL39C
• B-D: ALA32B, ALA32D, ALA35B, ALA35D, ASN133B, ASN133D, ASN135B, ASN135D, ASP29B, ASP29D, GLN139B, GLN139D, GLN38B, GLN38D, GLN40B, GLN40D, GLY231B, GLY231D, HIS230B, HIS230D, LEU31B, LEU31D, LEU36B, LEU36D, LEU37B, LEU37D, LYS229B, LYS229D, PRO30B, PRO30D, PRO34B, PRO34D, SER33B, SER33D, TYR167D, TYR28B, TYR28D, VAL232B, VAL232D, VAL39B, VAL39D
• B-F: ALA332F, ALA358B, ALA359B, ALA360B, ALA83F, ARG290B, ARG355B, ARG362B, ARG90F, ASN147F, ASN150F, ASN291B, ASN296B, ASN320B, ASP127F, ASP288B, ASP297B, ASP352B, ASP80F, CYS300B, GLN139F, GLN143F, GLN292B, GLN85F, GLU321B, GLU348B, GLU351B, GLU82F, GLU86F, GLY330F, GLY333F, GLY346B, ILE151F, ILE319F, ILE345B, LEU334F, LEU357B, LEU81F, LEU89F, LYS136F, LYS294B, LYS331F, LYS335F, LYS356B, PHE289B, PRO293B, SER140F, THR349B, TYR336F, TYR87F, VAL353B
• B-H: ALA332H, ASN147B, ASN150B, GLN143B, GLN143H, GLN40H, GLN85B, GLU82B, GLU82H, GLU86B, GLU86H, ILE151B, LEU89B, LYS136H, LYS93B, PRO42H, THR44B, TYR336B, TYR336H
• C-D: ALA169C, ALA169D, ALA179C, ALA179D, ALA191C, ALA191D, ALA19C, ALA19D, ALA214C, ALA214D, ALA217C, ALA217D, ALA218C, ALA218D, ALA219C, ALA219D, ALA233C, ALA233D, ALA234C, ALA234D, ALA32C, ALA32D, ALA35D, ALA43C, ALA43D, ALA51C, ALA51D, ARG114D, ARG142C, ARG142D, ARG180C, ARG180D, ARG188C, ARG188D, ARG249C, ARG249D, ARG24C, ARG24D, ARG53C, ARG53D, ARG55C, ARG55D, ARG56C, ARG56D, ASN124C, ASN124D, ASN133C, ASN133D, ASN135C, ASN135D, ASN209C, ASN209D, ASN241C, ASN241D, ASN274C, ASN274D, ASP125C, ASP125D, ASP161C, ASP161D, ASP170C, ASP170D, ASP205C, ASP205D, ASP213C, ASP213D, ASP22C, ASP22D, ASP29C, ASP29D, CYS244C, CYS244D, GLN166C, GLN166D, GLN185C, GLN185D, GLN38C, GLN38D, GLU111C, GLU158C, GLU158D, GLU183C, GLU183D, GLU189C, GLU189D, GLU20C, GLU20D, GLU21C, GLU21D, GLU242C, GLU242D, GLU49C, GLU49D, GLY137C, GLY137D, GLY18C, GLY18D, GLY193C, GLY193D, GLY203C, GLY203D, GLY206C, GLY206D, GLY231C, GLY231D, GLY240C, GLY240D, GLY27C, GLY27D, HIS187C, HIS187D, HIS220C, HIS220D, HIS222C, HIS222D, HIS223C, HIS223D, HIS230C, HIS230D, HIS243C, HIS243D, ILE123C, ILE123D, ILE134C, ILE134D, ILE163C, ILE163D, ILE235C, ILE235D, ILE25C, ILE25D, ILE59C, ILE59D, ILE62C, ILE62D, LEU138C, LEU138D, LEU160C, LEU160D, LEU168C, LEU168D, LEU171C, LEU171D, LEU186C, LEU186D, LEU190C, LEU190D, LEU194C, LEU194D, LEU208C, LEU26C, LEU26D, LEU31C, LEU31D, LEU48C, LEU48D, LYS112C, LYS112D, LYS120C, LYS120D, LYS136C, LYS136D, LYS229C, LYS229D, LYS239C, LYS239D, LYS252C, LYS252D, LYS253C, LYS52C, LYS52D, MET159C, MET159D, MET225C, MET225D, PHE132C, PHE132D, PHE196C, PHE196D, PHE224C, PHE224D, PRO113D, PRO165C, PRO165D, PRO197C, PRO197D, PRO30C, PRO30D, PRO34C, PRO34D, PRO45C, PRO45D, SER164C, SER164D, SER173C, SER173D, SER184C, SER184D, SER192C, SER192D, SER195C, SER195D, SER221C, SER221D, SER226C, SER226D, SER33C, SER33D, SER47C, SER47D, THR131C, THR131D, THR162C, THR162D, THR181C, THR181D, THR182C, THR182D, THR204C, THR204D, THR207C, THR207D, THR228C, THR228D, THR236C, THR236D, THR237C, THR237D, THR238C, THR238D, THR44D, TYR167C, TYR167D, TYR28C, TYR28D, VAL172C, VAL172D, VAL198C, VAL198D, VAL210C, VAL210D, VAL227C, VAL227D, VAL232C, VAL232D, VAL23C, VAL23D
• D-H: ALA332D, ARG290H, ASP288H, GLU321H, GLU329D, GLY330D, GLY333D, LEU334D, LYS294H, LYS331D, PHE289H
• E-F: ALA169E, ALA169F, ALA179E, ALA179F, ALA191E, ALA191F, ALA19E, ALA19F, ALA214E, ALA217E, ALA218E, ALA218F, ALA219E, ALA219F, ALA233E, ALA233F, ALA234E, ALA234F, ALA32E, ALA32F, ALA35E, ALA43E, ALA43F, ALA51E, ALA51F, ARG142E, ARG142F, ARG180E, ARG180F, ARG188E, ARG188F, ARG249E, ARG249F, ARG24E, ARG24F, ARG53E, ARG53F, ARG55E, ARG55F, ARG56E, ARG56F, ASN124E, ASN124F, ASN130E, ASN133E, ASN133F, ASN135E, ASN135F, ASN209E, ASN209F, ASN241E, ASN241F, ASN274E, ASP125E, ASP125F, ASP161E, ASP161F, ASP170E, ASP170F, ASP205E, ASP205F, ASP213E, ASP22E, ASP22F, ASP29E, ASP29F, CYS244E, CYS244F, GLN166E, GLN166F, GLN185E, GLN185F, GLN38E, GLN38F, GLU111F, GLU158E, GLU158F, GLU183E, GLU183F, GLU189E, GLU189F, GLU20E, GLU20F, GLU21E, GLU21F, GLU242E, GLU242F, GLU49E, GLU49F, GLY137E, GLY137F, GLY18E, GLY18F, GLY193E, GLY193F, GLY203E, GLY203F, GLY206E, GLY206F, GLY231E, GLY231F, GLY240E, GLY240F, GLY27E, GLY27F, HIS187E, HIS187F, HIS220E, HIS220F, HIS222E, HIS222F, HIS223E, HIS223F, HIS230E, HIS230F, HIS243E, HIS243F, ILE123E, ILE123F, ILE134E, ILE134F, ILE163E, ILE163F, ILE235E, ILE235F, ILE25E, ILE25F, ILE59E, ILE59F, ILE62E, ILE62F, LEU138E, LEU138F, LEU160E, LEU160F, LEU168E, LEU168F, LEU171E, LEU171F, LEU186E, LEU186F, LEU190E, LEU190F, LEU194E, LEU194F, LEU208E, LEU26E, LEU26F, LEU31E, LEU31F, LEU48E, LEU48F, LYS112F, LYS120F, LYS136E, LYS136F, LYS229E, LYS229F, LYS239E, LYS239F, LYS252E, LYS252F, LYS52E, LYS52F, MET159E, MET159F, MET225E, MET225F, PHE132E, PHE132F, PHE196E, PHE196F, PHE224E, PHE224F, PRO165E, PRO165F, PRO197E, PRO197F, PRO30E, PRO30F, PRO34E, PRO34F, PRO45E, PRO45F, SER164E, SER164F, SER173E, SER184E, SER184F, SER192E, SER192F, SER195E, SER195F, SER221E, SER221F, SER226E, SER226F, SER33E, SER33F, SER47E, THR131E, THR131F, THR162E, THR162F, THR181E, THR181F, THR182E, THR182F, THR204E, THR204F, THR207E, THR207F, THR228E, THR228F, THR236E, THR236F, THR237E, THR237F, THR238E, THR238F, THR44E, THR44F, TYR167E, TYR167F, TYR28E, TYR28F, VAL172E, VAL172F, VAL198E, VAL198F, VAL210E, VAL210F, VAL227E, VAL227F, VAL232E, VAL232F, VAL23E, VAL23F
• E-G: ALA233E, ALA233G, ALA32E, ALA32G, ALA35E, ALA35G, ASN133E, ASN133G, ASN135E, ASN135G, ASP29E, ASP29G, GLN139E, GLN139G, GLN38E, GLN38G, GLN40E, GLN40G, GLY231E, GLY231G, HIS230E, HIS230G, LEU31E, LEU31G, LEU36E, LEU36G, LEU37E, LEU37G, LYS229E, LYS229G, PRO30E, PRO30G, PRO34E, PRO34G, SER33E, SER33G, TYR28E, TYR28G, VAL232E, VAL232G, VAL39E, VAL39G
• E-H: ALA233E, ALA233H, ALA234E, ALA234H, ALA35E, GLY231E, GLY231H, HIS230E, HIS230H, ILE235E, ILE235H, LEU36E, LEU36H, LYS229E, SER33E, SER33H, THR228E, THR228H, VAL232E, VAL232H, VAL39E, VAL39H
• F-G: ALA233F, ALA233G, ALA234F, ALA234G, ALA35G, GLY231F, GLY231G, HIS230F, HIS230G, ILE235F, ILE235G, LEU36F, LEU36G, LYS229G, SER33F, SER33G, THR228F, THR228G, VAL232F, VAL232G, VAL39F, VAL39G
• F-H: ALA32F, ALA32H, ALA35F, ALA35H, ASN133F, ASN133H, ASN135F, ASN135H, ASP29F, ASP29H, GLN139F, GLN139H, GLN38F, GLN38H, GLN40F, GLN40H, GLY231F, GLY231H, HIS230F, HIS230H, LEU31F, LEU31H, LEU36F, LEU36H, LEU37F, LEU37H, LYS229F, LYS229H, PRO30F, PRO30H, PRO34F, PRO34H, SER33F, SER33H, TYR28F, TYR28H, VAL232F, VAL232H, VAL39F, VAL39H
• G-H: ALA169G, ALA169H, ALA179G, ALA179H, ALA191G, ALA191H, ALA19G, ALA19H, ALA214G, ALA214H, ALA217G, ALA217H, ALA218G, ALA218H, ALA219G, ALA219H, ALA233G, ALA233H, ALA234G, ALA234H, ALA32G, ALA32H, ALA35H, ALA43G, ALA43H, ALA51G, ALA51H, ARG142G, ARG142H, ARG180G, ARG180H, ARG188G, ARG188H, ARG249G, ARG249H, ARG24G, ARG24H, ARG53G, ARG55G, ARG55H, ARG56G, ARG56H, ASN124G, ASN124H, ASN133G, ASN133H, ASN135G, ASN135H, ASN209G, ASN209H, ASN241G, ASN241H, ASN274G, ASN274H, ASP125G, ASP125H, ASP161G, ASP161H, ASP170G, ASP170H, ASP205G, ASP205H, ASP213G, ASP213H, ASP22G, ASP22H, ASP29G, ASP29H, CYS244G, CYS244H, GLN166G, GLN166H, GLN185G, GLN185H, GLN268H, GLN38G, GLN38H, GLU111H, GLU158G, GLU158H, GLU183G, GLU183H, GLU189G, GLU189H, GLU20G, GLU20H, GLU21G, GLU21H, GLU242G, GLU242H, GLU49G, GLU49H, GLY137G, GLY137H, GLY18H, GLY193G, GLY193H, GLY203G, GLY203H, GLY206G, GLY206H, GLY231G, GLY231H, GLY240G, GLY240H, GLY27G, GLY27H, HIS187G, HIS187H, HIS220G, HIS220H, HIS222G, HIS222H, HIS223G, HIS223H, HIS230G, HIS230H, HIS243G, HIS243H, ILE123G, ILE123H, ILE134G, ILE134H, ILE163G, ILE163H, ILE235G, ILE235H, ILE25G, ILE25H, ILE59G, ILE59H, ILE62G, ILE62H, LEU138G, LEU138H, LEU160G, LEU160H, LEU168G, LEU168H, LEU171G, LEU171H, LEU186G, LEU186H, LEU190G, LEU190H, LEU194G, LEU194H, LEU208H, LEU26G, LEU26H, LEU31G, LEU31H, LEU48G, LEU48H, LYS112G, LYS112H, LYS120G, LYS120H, LYS136G, LYS136H, LYS229G, LYS229H, LYS239G, LYS239H, LYS252G, LYS252H, LYS52G, LYS52H, MET159G, MET159H, MET225G, MET225H, PHE132G, PHE132H, PHE196G, PHE196H, PHE224G, PHE224H, PRO113G, PRO113H, PRO165G, PRO165H, PRO197G, PRO197H, PRO30G, PRO30H, PRO34G, PRO34H, PRO45G, PRO45H, SER164G, SER164H, SER173G, SER184G, SER184H, SER192G, SER192H, SER195G, SER195H, SER221G, SER221H, SER226G, SER226H, SER33G, SER33H, SER47G, SER47H, THR131G, THR131H, THR162G, THR162H, THR181G, THR181H, THR182G, THR182H, THR204G, THR204H, THR207G, THR207H, THR228G, THR228H, THR236G, THR236H, THR237G, THR237H, THR238G, THR238H, THR44G, THR44H, TYR167G, TYR167H, TYR28G, TYR28H, VAL172G, VAL172H, VAL198G, VAL198H, VAL210G, VAL210H, VAL227G, VAL227H, VAL232G, VAL232H, VAL23G, VAL23H