2NW7

crystal structure of tryptophan 2,3-dioxygenase (tdo) from xanthomonas campestris in complex with ferric heme. northeast structural genomics target xcr13

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 201
  • Norm. En. per Res.: -5.6486
• Hub Node: A(3)

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	0.0	26.5181	-95.3053	-68.7871	47	1	0	3455	0	38	20
A-C	-11.3817	-85.0684	-375.073	-471.5231	154	35	3	16518	6	46	52
A-D	-122.9163	-131.78	-820.027	-1074.7233	202	71	14	34043	18	70	54
B-C	-192.817	-135.651	-806.909	-1135.377	201	61	15	33826	18	74	56
B-D	-37.0383	-100.3294	-389.444	-526.8117	161	27	3	16869	7	48	53
C-D	0.0	31.1485	-89.1781	-58.0296	48	1	0	3409	0	38	20

Interface residues

• A-B: ALA89A, ALA89B, ARG215A, ARG215B, ARG218A, ARG218B, ARG85A, ARG85B, ARG90A, ARG96A, ARG96B, ASN212A, ASN212B, ASP214A, ASP214B, GLN232A, GLN232B, GLN83A, GLN83B, GLN93A, GLN93B, GLN97B, GLU100A, GLU100B, GLU224A, GLU224B, GLU80A, GLU80B, HIS75B, LYS86A, LYS86B, LYS92A, LYS92B, SER221A, SER221B, THR213A, THR213B, TRP217A, TRP217B, TRP82A, TRP82B, TYR216A, TYR216B, TYR220A, TYR220B, VAL81A, VAL81B
• A-C: ALA266C, ALA268A, ALA268C, ARG117A, ARG117C, ARG203C, ARG237A, ARG237C, ARG239A, ARG239C, ARG242A, ARG242C, ARG246A, ARG246C, ARG279A, ARG279C, ARG96A, ARG96C, ASN212A, ASN212C, ASP118A, ASP118C, ASP214A, ASP214C, ASP225A, ASP225C, ASP228A, ASP228C, ASP277A, ASP277C, ASP47A, ASP47C, CYS223A, CYS223C, GLN232A, GLN232C, GLN234A, GLN234C, GLN264A, GLN264C, GLU100A, GLU100C, GLU106A, GLU106C, GLU112A, GLU112C, GLU207A, GLU207C, GLU211A, GLU211C, GLU224A, GLU224C, GLU230A, GLU230C, GLY249A, GLY249C, GLY283A, GLY283C, HIS240A, HIS240C, ILE209A, ILE209C, ILE248A, ILE248C, LEU108A, LEU108C, LEU226A, LEU226C, LEU235A, LEU235C, LEU267A, LEU267C, LEU269A, LEU269C, LEU275A, LEU275C, LYS251A, LYS251C, LYS92A, LYS92C, MET114A, MET114C, MET241A, MET241C, MET245A, MET245C, PHE206A, PHE206C, PHE233A, PHE233C, PHE238A, PHE238C, PHE250A, PHE250C, PHE271A, PHE271C, PHE272A, PHE272C, PHE276A, PHE276C, PRO110A, PRO110C, PRO273A, PRO273C, SER103A, SER103C, SER111A, SER111C, SER221A, SER221C, SER281A, SER281C, THR107A, THR107C, THR109A, THR109C, THR213A, THR213C, THR231A, THR231C, THR243A, THR243C, THR270A, THR270C, THR280A, THR280C, THR99A, THR99C, TRP102A, TRP102C, TRP236A, TRP236C, TYR113A, TYR113C, TYR210A, TYR210C, TYR220A, TYR220C, VAL227A, VAL227C, VAL229A, VAL229C, VAL244A, VAL244C, VAL247A, VAL247C, VAL260A, VAL260C, VAL278A, VAL278C, VAL282A, VAL282C, VAL284A, VAL284C
• A-D: ALA36A, ALA36D, ALA44A, ALA44D, ALA66A, ALA66D, ALA71A, ALA71D, ALA72A, ALA72D, ALA89A, ALA89D, ARG158A, ARG21A, ARG21D, ARG239A, ARG239D, ARG246A, ARG246D, ARG29A, ARG29D, ARG70A, ARG70D, ARG90A, ARG90D, ARG96A, ARG96D, ASP118A, ASP118D, ASP152A, ASP152D, ASP31A, ASP31D, ASP47A, ASP47D, GLN101A, GLN101D, GLN127A, GLN127D, GLN130A, GLN130D, GLN32A, GLN32D, GLN37A, GLN37D, GLN38A, GLN38D, GLN54A, GLN54D, GLN56A, GLN56D, GLN83A, GLN93A, GLN93D, GLN97A, GLN97D, GLU100A, GLU100D, GLU106A, GLU106D, GLU112A, GLU112D, GLU48A, GLU48D, GLU59A, GLU59D, GLU68A, GLU68D, GLY121A, GLY121D, GLY125A, GLY125D, GLY25A, GLY25D, GLY26A, GLY26D, HIS45A, HIS45D, HIS46A, HIS46D, HIS55A, HIS55D, HIS67A, HIS67D, HIS75A, HIS75D, ILE52A, ILE52D, ILE53A, ILE53D, LEU105A, LEU105D, LEU108A, LEU108D, LEU120A, LEU120D, LEU129A, LEU129D, LEU22A, LEU22D, LEU28A, LEU28D, LEU30A, LEU30D, LEU33A, LEU33D, LEU34A, LEU34D, LEU40A, LEU40D, LEU50A, LEU50D, LEU60A, LEU60D, LEU62A, LEU62D, LEU64A, LEU64D, LEU65A, LEU65D, LEU69A, LEU69D, LEU88A, LEU95A, LEU95D, LEU98A, LEU98D, LYS63A, LYS63D, LYS86A, LYS86D, LYS92A, LYS92D, MET49A, MET49D, PHE116A, PHE116D, PHE126A, PHE126D, PHE149A, PHE149D, PHE51A, PHE51D, PRO110A, PRO122A, PRO122D, PRO39A, PRO39D, SER103A, SER103D, SER111A, SER111D, SER123A, SER123D, SER124A, SER124D, SER128A, SER128D, SER35A, SER35D, SER41A, SER41D, SER58A, SER58D, SER91A, SER91D, THR107A, THR107D, THR109A, THR109D, THR23A, THR23D, THR57A, THR57D, THR99A, THR99D, TRP102A, TRP102D, TRP236D, TRP61A, TRP61D, TRP82A, TRP82D, TYR113A, TYR113D, TYR131A, TYR131D, TYR151A, TYR151D, TYR24A, TYR24D, TYR27A, TYR27D, VAL104A, VAL104D, VAL119A, VAL119D, VAL148A, VAL87A, VAL87D, VAL94A, VAL94D
• B-C: ALA36B, ALA36C, ALA44B, ALA44C, ALA66B, ALA66C, ALA71B, ALA71C, ALA72B, ALA72C, ALA89B, ALA89C, ARG21B, ARG21C, ARG239B, ARG239C, ARG246B, ARG246C, ARG29B, ARG29C, ARG70B, ARG70C, ARG90B, ARG90C, ARG96B, ARG96C, ASP118B, ASP118C, ASP152B, ASP152C, ASP31B, ASP31C, ASP47B, ASP47C, GLN101B, GLN101C, GLN127B, GLN127C, GLN130B, GLN130C, GLN32B, GLN32C, GLN37B, GLN37C, GLN38B, GLN38C, GLN54B, GLN54C, GLN56B, GLN56C, GLN83C, GLN93B, GLN93C, GLN97B, GLN97C, GLU100B, GLU100C, GLU106B, GLU106C, GLU112B, GLU112C, GLU48B, GLU48C, GLU59B, GLU59C, GLU68B, GLU68C, GLY121B, GLY121C, GLY125B, GLY125C, GLY25B, GLY25C, GLY26B, GLY26C, HIS45B, HIS45C, HIS46B, HIS46C, HIS55B, HIS55C, HIS67B, HIS67C, HIS75B, HIS75C, ILE52B, ILE52C, ILE53B, ILE53C, LEU105B, LEU105C, LEU108B, LEU108C, LEU120B, LEU120C, LEU129B, LEU129C, LEU22B, LEU22C, LEU28B, LEU28C, LEU30B, LEU30C, LEU33B, LEU33C, LEU34B, LEU34C, LEU40B, LEU40C, LEU50B, LEU50C, LEU60B, LEU60C, LEU62B, LEU62C, LEU64B, LEU64C, LEU65B, LEU65C, LEU69B, LEU69C, LEU88B, LEU88C, LEU95B, LEU95C, LEU98B, LEU98C, LYS63B, LYS63C, LYS86B, LYS86C, LYS92B, LYS92C, MET49B, MET49C, PHE116B, PHE116C, PHE126B, PHE126C, PHE149B, PHE149C, PHE51B, PHE51C, PRO110B, PRO110C, PRO122B, PRO122C, PRO39B, PRO39C, SER103B, SER103C, SER111B, SER111C, SER123B, SER123C, SER124B, SER124C, SER128B, SER128C, SER35B, SER35C, SER41B, SER41C, SER58B, SER58C, SER91B, SER91C, THR107B, THR107C, THR109B, THR109C, THR23B, THR23C, THR57B, THR57C, THR99B, THR99C, TRP102B, TRP102C, TRP61B, TRP61C, TRP82B, TRP82C, TYR113B, TYR113C, TYR131B, TYR131C, TYR151B, TYR151C, TYR24B, TYR24C, TYR27B, TYR27C, VAL104B, VAL104C, VAL119B, VAL119C, VAL87B, VAL87C, VAL94B, VAL94C
• B-D: ALA198B, ALA266B, ALA266D, ALA268B, ALA268D, ARG117B, ARG117D, ARG203B, ARG203D, ARG208B, ARG208D, ARG237B, ARG237D, ARG239B, ARG239D, ARG242B, ARG242D, ARG246B, ARG246D, ARG252D, ARG279B, ARG279D, ARG96B, ARG96D, ASN212B, ASN212D, ASP118B, ASP118D, ASP200D, ASP214B, ASP214D, ASP225B, ASP225D, ASP228B, ASP228D, ASP277B, ASP277D, CYS223B, CYS223D, GLN232B, GLN232D, GLN234B, GLN234D, GLN264B, GLN264D, GLN265B, GLU100B, GLU100D, GLU106B, GLU106D, GLU112B, GLU112D, GLU207B, GLU207D, GLU211B, GLU211D, GLU224B, GLU224D, GLU230B, GLU230D, GLY115D, GLY249B, GLY249D, GLY283B, GLY283D, HIS240B, HIS240D, ILE209B, ILE209D, ILE248B, ILE248D, LEU108B, LEU108D, LEU226B, LEU226D, LEU235B, LEU235D, LEU267B, LEU267D, LEU269B, LEU269D, LEU275B, LEU275D, LYS251B, LYS251D, LYS92B, LYS92D, MET114B, MET114D, MET241B, MET241D, MET245B, MET245D, PHE206B, PHE206D, PHE233B, PHE233D, PHE238B, PHE238D, PHE250B, PHE250D, PHE271B, PHE271D, PHE272B, PHE272D, PHE276B, PHE276D, PRO110B, PRO110D, PRO273B, PRO273D, SER103B, SER103D, SER111B, SER111D, SER221B, SER221D, SER281B, SER281D, THR107B, THR107D, THR109B, THR109D, THR213B, THR213D, THR231B, THR231D, THR243B, THR243D, THR270B, THR270D, THR280B, THR280D, THR99B, THR99D, TRP102B, TRP102D, TRP236B, TRP236D, TYR113B, TYR113D, TYR210B, TYR210D, TYR220B, TYR220D, VAL227B, VAL227D, VAL229B, VAL229D, VAL244B, VAL244D, VAL247B, VAL247D, VAL260B, VAL260D, VAL278B, VAL278D, VAL282B, VAL282D, VAL284B, VAL284D
• C-D: ALA89C, ALA89D, ARG215C, ARG215D, ARG218C, ARG218D, ARG85C, ARG85D, ARG90C, ARG90D, ARG96C, ARG96D, ASN212C, ASN212D, ASP214C, ASP214D, ASP225D, GLN232D, GLN83C, GLN83D, GLN93C, GLN93D, GLN97D, GLU100C, GLU100D, GLU224C, GLU224D, GLU80C, GLU80D, LYS86C, LYS86D, LYS92C, LYS92D, SER221C, SER221D, THR213C, THR213D, TRP217C, TRP217D, TRP82C, TRP82D, TYR210D, TYR216C, TYR216D, TYR220C, TYR220D, VAL81C, VAL81D