3Q63

x-ray crystal structure of protein mll2253 from mesorhizobium loti, northeast structural genomics consortium target mlr404.

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 96
  • Norm. En. per Res.: -4.0459
• Hub Node: A(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	-46.8867	-53.0168	-225.246	-325.1494	90	15	5	9120	6	28	21
A-C	0.0	0.0	-0.1008	-0.1008	5	0	0	34	0	0	1
A-E	-2.5511	0.0	-13.1806	-15.7317	12	0	0	378	0	4	4
A-F	-11.0429	1.0302	-126.989	-137.0017	80	6	4	5442	1	25	30
B-C	-2.7689	-0.3529	-88.356	-91.4778	66	10	4	4206	4	16	26
B-D	0.0	0.0	-0.021	-0.021	3	0	0	13	0	1	1
B-F	-2.817	0.0	-3.7764	-6.5934	14	1	0	188	0	3	3
C-D	-41.1213	-90.3141	-256.974	-388.4094	96	14	3	9853	8	28	21
C-E	0.0	0.0	-0.0378	-0.0378	4	0	0	18	0	3	2
D-E	-23.5538	-3.8565	-101.398	-128.8083	76	6	4	4749	3	22	29
D-F	0.0	0.0	-0.1128	-0.1128	6	0	0	28	0	1	1
E-F	-20.2992	-40.7953	-203.933	-265.0275	91	16	4	9001	4	23	21

Interface residues

• A-B: ALA120A, ALA120B, ALA124A, ALA124B, ALA55A, ALA55B, ALA81A, ALA81B, ALA86A, ALA86B, ARG118A, ARG118B, ARG119A, ARG119B, ARG50B, ASN41A, ASN41B, ASN52A, ASN52B, ASN79A, ASN79B, ASP42A, ASP42B, ASP56A, ASP56B, ASP62A, ASP62B, ASP84A, ASP84B, ASP88A, ASP88B, CYS63A, CYS63B, GLN110A, GLN110B, GLN117A, GLN130A, GLN130B, GLN83A, GLN83B, GLU35B, GLY122A, GLY122B, GLY123A, GLY123B, GLY127A, GLY127B, GLY58A, GLY58B, GLY59A, GLY59B, HIS82A, HIS82B, ILE53A, ILE53B, LEU38A, LEU38B, LEU61A, LEU61B, LEU80A, LEU80B, LEU89A, LEU89B, LYS125A, LYS125B, LYS40A, LYS40B, PHE113A, PHE113B, PHE131A, PHE131B, PHE51A, PHE51B, PHE87A, PHE87B, PRO129A, PRO129B, SER54A, SER54B, SER91A, TRP128A, TRP128B, TRP57A, TRP57B, TRP78A, TRP78B, TYR121A, TYR121B, VAL60A, VAL60B
• A-C: ARG90C, ASP88C, GLN83A, GLN83C, HIS82C
• A-E: ALA86A, ARG114A, ARG90A, ASP84A, ASP84E, ASP88A, GLN83A, GLN83E, HIS82A, HIS82E, PHE87A, PRO85A
• A-F: ALA46A, ALA46F, ALA67A, ALA67F, ALA81A, ALA81F, ALA86A, ARG114A, ARG114F, ARG50A, ARG50F, ARG90A, ARG90F, ARG9A, ARG9F, ASN52A, ASN79A, ASN79F, ASN8F, ASP116A, ASP62A, ASP62F, ASP88A, ASP88F, CYS63A, CYS63F, GLN110A, GLN110F, GLN117A, GLN117F, GLU109A, GLU64A, GLU64F, GLU7F, GLY112A, GLY112F, GLY48A, GLY48F, HIS49A, HIS49F, HIS82A, LEU61A, LEU66A, LEU66F, LEU80A, LEU89A, LEU89F, LYS44A, PHE113A, PHE113F, PHE51A, PHE51F, PHE87A, PRO115A, PRO115F, PRO85A, SER111A, SER111F, SER75A, SER75F, SER91A, SER91F, THR10A, THR10F, THR6F, THR77A, THR77F, THR94A, THR94F, TRP78A, TRP78F, TYR76A, TYR76F, VAL47A, VAL47F, VAL65A, VAL65F, VAL92A, VAL92F, VAL93A
• B-C: ALA46B, ALA67B, ALA67C, ALA81C, ARG114B, ARG114C, ARG50B, ARG50C, ARG90B, ARG90C, ARG9C, ASN79B, ASN79C, ASN8B, ASP62C, ASP88B, ASP88C, CYS63B, CYS63C, GLN110C, GLN117C, GLU109B, GLU109C, GLU64B, GLU64C, GLY112B, GLY112C, GLY48B, GLY48C, HIS49B, HIS49C, HIS82C, LEU66B, LEU66C, LEU80C, LEU89B, LEU89C, LYS44B, PHE113C, PHE51B, PHE51C, PRO85C, SER111B, SER111C, SER75B, SER75C, SER91B, SER91C, THR10B, THR10C, THR73B, THR77B, THR77C, THR94B, THR94C, TRP78C, TYR76B, TYR76C, VAL47B, VAL47C, VAL65B, VAL65C, VAL68B, VAL92B, VAL92C, VAL93C
• B-D: ARG90B, ASP88B, GLN83D
• B-F: ALA81F, ARG114F, ARG90F, ASP84B, ASP84F, ASP88F, GLN117F, GLN83B, GLN83F, HIS82B, HIS82F, LEU80F, LEU89F, PRO85F
• C-D: ALA120C, ALA120D, ALA124C, ALA124D, ALA55C, ALA55D, ALA81C, ALA81D, ALA86C, ALA86D, ARG118C, ARG118D, ARG119C, ARG119D, ARG50C, ARG90D, ASN41C, ASN41D, ASN52C, ASN52D, ASN79C, ASN79D, ASP42C, ASP42D, ASP56C, ASP56D, ASP62C, ASP62D, ASP84C, ASP84D, ASP88C, ASP88D, CYS63C, CYS63D, GLN110C, GLN110D, GLN117C, GLN117D, GLN130C, GLN130D, GLN83C, GLN83D, GLU35C, GLU35D, GLY122C, GLY122D, GLY123C, GLY123D, GLY127C, GLY127D, GLY58C, GLY58D, GLY59C, GLY59D, HIS82C, HIS82D, ILE53C, ILE53D, LEU38C, LEU38D, LEU61C, LEU61D, LEU80C, LEU80D, LEU89C, LEU89D, LYS125C, LYS125D, LYS134C, LYS134D, LYS40C, LYS40D, PHE113C, PHE113D, PHE131C, PHE131D, PHE51C, PHE51D, PHE87C, PHE87D, PRO129C, PRO129D, SER54C, SER54D, SER91C, SER91D, TRP128C, TRP128D, TRP57C, TRP57D, TRP78C, TRP78D, TYR121C, TYR121D, VAL60C, VAL60D
• C-E: ALA81E, ARG90E, ASP88E, GLN83C
• D-E: ALA46E, ALA67D, ALA67E, ALA81D, ALA86D, ARG107E, ARG114D, ARG114E, ARG50D, ARG50E, ARG90D, ARG90E, ARG9D, ARG9E, ASN79D, ASN79E, ASN8E, ASP116D, ASP62D, ASP62E, ASP88D, ASP88E, CYS63D, CYS63E, GLN110D, GLN117D, GLN117E, GLU109D, GLU109E, GLU64D, GLU64E, GLU7E, GLY112D, GLY112E, GLY48D, GLY48E, HIS49D, HIS49E, HIS82D, LEU66D, LEU66E, LEU80D, LEU89D, LEU89E, LYS44D, PHE113D, PHE113E, PHE51D, PHE87D, PRO115E, PRO85D, SER111D, SER111E, SER75D, SER75E, SER91D, SER91E, THR10D, THR10E, THR73E, THR77D, THR77E, THR94D, THR94E, TRP78D, TRP78E, TYR76D, TYR76E, VAL47D, VAL47E, VAL65D, VAL65E, VAL68E, VAL92D, VAL92E, VAL93D
• D-F: ALA81D, ARG90D, ASP88D, GLN83D, GLN83F, HIS82D
• E-F: ALA120E, ALA120F, ALA124E, ALA124F, ALA55E, ALA55F, ALA81E, ALA81F, ALA86E, ALA86F, ARG119E, ARG119F, ARG50E, ARG50F, ASN41E, ASN41F, ASN52E, ASN52F, ASN79E, ASN79F, ASP42E, ASP42F, ASP56E, ASP56F, ASP62E, ASP62F, ASP84E, ASP84F, ASP88E, ASP88F, CYS63E, CYS63F, GLN110E, GLN110F, GLN130E, GLN130F, GLN83E, GLN83F, GLU35E, GLU35F, GLY122E, GLY122F, GLY123E, GLY123F, GLY127E, GLY127F, GLY58E, GLY58F, GLY59E, GLY59F, HIS82E, HIS82F, ILE53E, ILE53F, LEU38E, LEU38F, LEU61E, LEU61F, LEU80E, LEU80F, LEU89E, LEU89F, LYS125E, LYS125F, LYS134E, LYS40E, LYS40F, PHE113E, PHE113F, PHE131E, PHE131F, PHE51E, PHE51F, PHE87E, PHE87F, PRO129E, PRO129F, SER54E, SER54F, SER91E, SER91F, TRP128E, TRP128F, TRP57E, TRP57F, TRP78E, TRP78F, TYR121E, TYR121F, VAL60E, VAL60F