3M1R

the crystal structure of formimidoylglutamase from bacillus subtilis subsp. subtilis str. 168

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 122
  • Norm. En. per Res.: -4.0344
• 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	-30.0918	9.8814	-302.807	-323.0174	116	7	2	11160	1	51	53
A-C	-59.2323	-44.7326	-353.94	-457.905	122	12	3	12501	6	57	53
A-D	-25.7966	20.8694	-118.22	-123.1473	68	8	2	5535	0	27	20
A-F	-106.2605	-44.7206	-299.608	-450.5891	117	15	10	11324	2	24	30
B-C	-50.4331	-47.556	-362.481	-460.4701	121	6	3	12577	7	55	54
B-D	-119.6849	-70.8847	-301.633	-492.2026	122	19	12	11776	4	26	33
B-E	-42.342	16.1045	-164.408	-190.6456	77	8	2	6849	0	30	24
C-E	-102.6572	-54.7236	-298.917	-456.2979	116	9	12	11143	2	29	35
C-F	-37.5423	17.5038	-151.767	-171.8055	74	8	2	6418	0	28	21
D-E	-90.5069	-33.7716	-340.389	-464.6675	119	12	3	12360	6	55	52
D-F	-76.5222	-41.275	-334.65	-452.4472	120	17	3	12022	5	52	52
E-F	-27.5633	-10.7153	-319.515	-357.7936	120	6	3	11827	5	53	52

Interface residues

• A-B: ALA196A, ALA199A, ALA251A, ALA251B, ALA256A, ALA301B, ALA302B, ALA303B, ALA309B, ALA64B, ALA70B, ALA73B, ARG156A, ARG170A, ARG17B, ARG189A, ARG215A, ARG295A, ARG295B, ARG300B, ASN157A, ASN193A, ASP160A, ASP16B, ASP18B, ASP212A, ASP247A, ASP247B, ASP265B, ASP289A, ASP293A, ASP293B, ASP296B, CYS254A, GLN195A, GLN248A, GLN248B, GLU159A, GLU190A, GLU198A, GLU266B, GLU269B, GLU287A, GLU74B, GLU77B, GLY161A, GLY253A, GLY258A, GLY260A, GLY261A, GLY312B, GLY76B, HIS152A, HIS153A, HIS250A, HIS250B, HIS304B, HIS308B, HIS51A, HIS67B, HIS78B, ILE188A, ILE208A, ILE257A, ILE49A, LEU246B, LEU262A, LEU267B, LEU268B, LEU292A, LEU306B, LEU307B, LEU310B, LEU75B, LYS15B, LYS202A, LYS21B, LYS272B, LYS311B, LYS314B, PHE14B, PHE191A, PHE294A, PHE294B, PRO252A, PRO252B, PRO255A, PRO259A, PRO290A, SER13B, SER192A, SER194A, SER249A, SER249B, SER299B, SER50A, SER68B, SER69B, SER72B, THR167A, THR20B, THR210A, THR264B, THR291A, THR298A, THR298B, TYR197A, TYR200A, TYR263A, TYR263B, TYR71B, VAL155A, VAL19B, VAL305B, VAL79B, VAL80B
• A-C: ALA196C, ALA199C, ALA251A, ALA251C, ALA256C, ALA301A, ALA302A, ALA303A, ALA309A, ALA64A, ALA70A, ALA73A, ARG156C, ARG170C, ARG17A, ARG189C, ARG215C, ARG295A, ARG295C, ARG300A, ASN157C, ASN193C, ASP160C, ASP16A, ASP18A, ASP212C, ASP247A, ASP247C, ASP265A, ASP289C, ASP293A, ASP293C, ASP296A, CYS254C, GLN195C, GLN248A, GLN248C, GLU159C, GLU190C, GLU198C, GLU216C, GLU266A, GLU269A, GLU74A, GLU77A, GLY161C, GLY162C, GLY166C, GLY253C, GLY258C, GLY260C, GLY261C, GLY312A, GLY76A, HIS152C, HIS153C, HIS250A, HIS250C, HIS304A, HIS308A, HIS51C, HIS67A, HIS78A, ILE188C, ILE208C, ILE257C, ILE49C, LEU246A, LEU262C, LEU267A, LEU268A, LEU292C, LEU306A, LEU307A, LEU310A, LEU315A, LEU65A, LEU75A, LYS15A, LYS202C, LYS21A, LYS272A, LYS311A, PHE14A, PHE191C, PHE294A, PHE294C, PRO252A, PRO252C, PRO255C, PRO259C, PRO290C, SER13A, SER192C, SER194C, SER249A, SER249C, SER299A, SER50C, SER52C, SER68A, SER69A, SER72A, THR158C, THR164C, THR167C, THR20A, THR210C, THR264A, THR291C, THR298A, THR298C, TYR197C, TYR200C, TYR263A, TYR263C, TYR71A, VAL155C, VAL19A, VAL305A, VAL79A, VAL80A
• A-D: ALA54A, ALA54D, ARG171A, ASN165A, ASN165D, ASP126A, ASP126D, ASP160A, ASP160D, ASP289A, ASP289D, ASP96A, ASP96D, GLU159A, GLU159D, GLY161A, GLY161D, GLY162D, GLY166A, GLY166D, GLY53A, GLY53D, HIS101A, HIS101D, HIS51A, HIS51D, HIS93A, HIS93D, ILE49A, ILE49D, ILE92A, ILE97A, ILE97D, LEU292A, LEU292D, LEU44A, LYS46A, LYS46D, LYS99A, LYS99D, PHE56A, PHE56D, PRO163D, SER45A, SER45D, SER47A, SER47D, SER48A, SER48D, SER50A, SER50D, SER52A, SER52D, SER55A, SER55D, THR158A, THR158D, THR164A, THR164D, THR167A, THR291A, THR291D, THR95A, THR95D, VAL94A, VAL94D, VAL98A, VAL98D
• A-F: ALA0A, ALA10A, ALA10F, ALA110A, ALA110F, ARG62A, ARG62F, ARG8A, ARG8F, ASN-1A, ASP114A, ASP114F, ASP30F, ASP86A, ASP86F, ASP89A, ASP89F, ASP91A, ASP91F, GLN106A, GLN106F, GLN32A, GLN32F, GLN63A, GLN63F, GLU9A, GLU9F, GLY11A, GLY11F, GLY31A, GLY31F, GLY41A, GLY41F, GLY59A, GLY59F, GLY88A, GLY88F, HIS102A, HIS102F, HIS103A, HIS103F, HIS109A, HIS109F, HIS115A, HIS115F, HIS93A, HIS93F, ILE104A, ILE104F, ILE34A, ILE34F, ILE40A, ILE40F, ILE90A, ILE90F, ILE92A, ILE92F, LEU111A, LEU111F, LEU112A, LEU112F, LEU123A, LEU123F, LEU39A, LEU39F, LEU7A, LEU7F, LEU87A, LEU87F, LYS15A, LYS15F, LYS3A, LYS3F, LYS66A, LYS66F, LYS99A, LYS99F, PHE105A, PHE105F, PHE14A, PHE14F, PHE56A, PHE56F, PHE6A, PHE6F, PRO43A, PRO43F, PRO58A, PRO58F, PRO5A, PRO5F, SER100A, SER100F, SER113A, SER113F, SER12A, SER12F, SER13A, SER13F, SER55A, SER55F, THR107A, THR107F, THR28A, THR28F, THR95A, THR95F, TRP118A, TRP118F, TRP29A, TRP29F, TYR4A, TYR4F, VAL42A, VAL42F, VAL94A, VAL94F
• B-C: ALA196B, ALA199B, ALA251B, ALA251C, ALA256B, ALA301C, ALA302C, ALA303C, ALA309C, ALA64C, ALA70C, ALA73C, ARG156B, ARG170B, ARG17C, ARG189B, ARG215B, ARG295B, ARG295C, ARG300C, ASN157B, ASN193B, ASP160B, ASP16C, ASP18C, ASP212B, ASP244B, ASP247B, ASP247C, ASP265C, ASP289B, ASP293B, ASP293C, ASP296C, CYS254B, GLN195B, GLN248B, GLN248C, GLU159B, GLU190B, GLU198B, GLU266C, GLU269C, GLU74C, GLU77C, GLY161B, GLY162B, GLY166B, GLY253B, GLY258B, GLY260B, GLY261B, GLY312C, GLY76C, HIS152B, HIS153B, HIS250B, HIS250C, HIS304C, HIS308C, HIS51B, HIS67C, HIS78C, ILE188B, ILE208B, ILE257B, ILE49B, LEU246C, LEU267C, LEU268C, LEU292B, LEU306C, LEU307C, LEU310C, LEU315C, LEU65C, LEU75C, LYS15C, LYS202B, LYS21C, LYS272C, LYS311C, PHE14C, PHE191B, PHE294B, PHE294C, PRO252B, PRO252C, PRO255B, PRO259B, PRO290B, SER13C, SER192B, SER194B, SER249B, SER249C, SER299C, SER50B, SER68C, SER69C, SER72C, SER81C, THR158B, THR164B, THR167B, THR20C, THR210B, THR264C, THR291B, THR298B, THR298C, TYR197B, TYR200B, TYR263B, TYR263C, TYR71C, VAL155B, VAL19C, VAL305C, VAL79C, VAL80C
• B-D: ALA0D, ALA10B, ALA10D, ALA110B, ALA110D, ARG62B, ARG62D, ARG8B, ARG8D, ASN-1D, ASP114B, ASP114D, ASP2B, ASP2D, ASP30B, ASP33B, ASP33D, ASP86B, ASP86D, ASP89B, ASP89D, ASP91B, ASP91D, GLN106B, GLN106D, GLN32B, GLN32D, GLN63B, GLN63D, GLU9B, GLU9D, GLY11B, GLY11D, GLY31B, GLY31D, GLY41B, GLY41D, GLY59B, GLY59D, GLY88B, GLY88D, HIS101B, HIS102B, HIS102D, HIS103B, HIS103D, HIS109B, HIS109D, HIS115B, HIS115D, HIS93B, HIS93D, ILE104B, ILE104D, ILE34B, ILE34D, ILE40B, ILE40D, ILE90B, ILE90D, ILE92B, ILE92D, LEU111B, LEU111D, LEU112B, LEU112D, LEU123B, LEU123D, LEU39B, LEU39D, LEU7B, LEU7D, LEU87B, LEU87D, LYS15B, LYS15D, LYS3B, LYS3D, LYS46B, LYS66B, LYS66D, LYS99B, LYS99D, PHE105B, PHE14B, PHE14D, PHE56B, PHE56D, PHE6B, PHE6D, PRO43B, PRO43D, PRO58B, PRO58D, PRO5B, PRO5D, SER-2D, SER100B, SER100D, SER113B, SER113D, SER12B, SER12D, SER13B, SER13D, SER55D, THR107B, THR107D, THR28B, THR28D, THR95B, THR95D, TRP118B, TRP118D, TRP29B, TRP29D, TYR4B, TYR4D, VAL42B, VAL42D, VAL94B, VAL94D
• B-E: ALA54B, ALA54E, ARG156B, ARG156E, ARG171B, ASN165B, ASN165E, ASP126B, ASP126E, ASP160B, ASP160E, ASP289B, ASP289E, ASP96B, ASP96E, GLU159B, GLU159E, GLY161B, GLY161E, GLY162B, GLY162E, GLY166B, GLY166E, GLY53B, GLY53E, HIS101B, HIS101E, HIS51B, HIS51E, HIS93B, HIS93E, ILE49B, ILE49E, ILE92B, ILE92E, ILE97B, ILE97E, LEU292B, LEU292E, LEU44B, LEU44E, LYS46B, LYS46E, LYS99B, LYS99E, PHE56B, PHE56E, PRO163B, PRO163E, SER128B, SER128E, SER45B, SER45E, SER47B, SER47E, SER48B, SER48E, SER50B, SER50E, SER52B, SER52E, SER55B, SER55E, THR158B, THR158E, THR164B, THR164E, THR167B, THR167E, THR291B, THR291E, THR95B, THR95E, VAL94B, VAL94E, VAL98B, VAL98E
• C-E: ALA10C, ALA10E, ALA110C, ALA110E, ARG62C, ARG62E, ARG8C, ARG8E, ASP114C, ASP114E, ASP16C, ASP2C, ASP30E, ASP86C, ASP86E, ASP89C, ASP89E, ASP91C, ASP91E, GLN106C, GLN106E, GLN63C, GLN63E, GLU9C, GLU9E, GLY11C, GLY11E, GLY31C, GLY31E, GLY41C, GLY41E, GLY59C, GLY59E, GLY88C, GLY88E, HIS102C, HIS102E, HIS103C, HIS103E, HIS109C, HIS109E, HIS115C, HIS115E, HIS93C, HIS93E, ILE104C, ILE104E, ILE34C, ILE34E, ILE40C, ILE40E, ILE90C, ILE90E, ILE92C, ILE92E, LEU111C, LEU111E, LEU112C, LEU112E, LEU123C, LEU123E, LEU39C, LEU39E, LEU7C, LEU7E, LEU87C, LEU87E, LYS15C, LYS15E, LYS3C, LYS3E, LYS46E, LYS66C, LYS66E, LYS99C, LYS99E, PHE105C, PHE105E, PHE14C, PHE14E, PHE56C, PHE56E, PHE6C, PHE6E, PRO43C, PRO43E, PRO58C, PRO58E, PRO5C, PRO5E, SER100C, SER100E, SER113C, SER113E, SER12C, SER12E, SER13C, SER13E, SER55C, SER55E, THR107C, THR107E, THR28C, THR28E, THR95C, THR95E, TRP118C, TRP118E, TRP29C, TRP29E, TYR4C, TYR4E, VAL42C, VAL42E, VAL94C, VAL94E
• C-F: ALA54C, ALA54F, ARG156C, ARG156F, ARG171C, ASN165C, ASN165F, ASP126C, ASP126F, ASP160C, ASP160F, ASP289C, ASP289F, ASP91C, ASP96C, ASP96F, GLU159C, GLU159F, GLY161C, GLY161F, GLY162C, GLY162F, GLY166C, GLY166F, GLY53C, GLY53F, HIS101C, HIS101F, HIS51C, HIS51F, HIS93C, HIS93F, ILE49C, ILE49F, ILE92C, ILE92F, ILE97C, ILE97F, LEU292C, LEU292F, LYS46C, LYS46F, LYS99C, LYS99F, PHE56C, PHE56F, PRO163C, PRO163F, SER128C, SER45C, SER45F, SER47C, SER47F, SER48C, SER48F, SER50C, SER50F, SER52C, SER52F, SER55C, SER55F, THR158C, THR158F, THR164C, THR164F, THR167C, THR291C, THR291F, THR95C, THR95F, VAL94C, VAL94F, VAL98C, VAL98F
• D-E: ALA196E, ALA199E, ALA251D, ALA251E, ALA256E, ALA301D, ALA302D, ALA303D, ALA309D, ALA70D, ALA73D, ARG156E, ARG170E, ARG17D, ARG189E, ARG215E, ARG295D, ARG295E, ARG300D, ASN157E, ASN193E, ASP160E, ASP16D, ASP18D, ASP212E, ASP244E, ASP247D, ASP247E, ASP265D, ASP289E, ASP293D, ASP293E, ASP296D, CYS254E, GLN195E, GLN248D, GLN248E, GLU159E, GLU190E, GLU198E, GLU266D, GLU269D, GLU74D, GLU77D, GLY161E, GLY162E, GLY166E, GLY253E, GLY258E, GLY260E, GLY261E, GLY312D, GLY76D, HIS152E, HIS153E, HIS250D, HIS250E, HIS304D, HIS308D, HIS51E, HIS67D, HIS78D, ILE188E, ILE208E, ILE257E, ILE49E, LEU246D, LEU267D, LEU268D, LEU292E, LEU306D, LEU307D, LEU310D, LEU315D, LEU75D, LYS15D, LYS202E, LYS21D, LYS272D, LYS311D, PHE14D, PHE191E, PHE294D, PHE294E, PRO252D, PRO252E, PRO255E, PRO259E, PRO290E, SER13D, SER192E, SER194E, SER249D, SER249E, SER299D, SER48E, SER50E, SER52E, SER68D, SER69D, SER72D, THR158E, THR164E, THR167E, THR20D, THR210E, THR264D, THR291E, THR298D, THR298E, TYR197E, TYR263D, TYR263E, TYR71D, VAL155E, VAL19D, VAL305D, VAL79D, VAL80D
• D-F: ALA196D, ALA199D, ALA251D, ALA251F, ALA256D, ALA301F, ALA302F, ALA303F, ALA309F, ALA70F, ALA73F, ARG156D, ARG170D, ARG17F, ARG189D, ARG215D, ARG295D, ARG295F, ARG300F, ARG8F, ASN157D, ASN165D, ASN193D, ASP160D, ASP16F, ASP18F, ASP212D, ASP247D, ASP247F, ASP265F, ASP289D, ASP293D, ASP293F, ASP296F, CYS254D, GLN195D, GLN248D, GLN248F, GLU159D, GLU190D, GLU198D, GLU216D, GLU266F, GLU269F, GLU74F, GLU77F, GLY161D, GLY162D, GLY166D, GLY253D, GLY258D, GLY260D, GLY261D, GLY312F, GLY76F, HIS152D, HIS153D, HIS250D, HIS250F, HIS304F, HIS308F, HIS51D, HIS67F, HIS78F, ILE188D, ILE208D, ILE257D, ILE49D, LEU246F, LEU267F, LEU268F, LEU292D, LEU306F, LEU307F, LEU310F, LEU65F, LEU75F, LYS15F, LYS202D, LYS21F, LYS272F, LYS311F, PHE14F, PHE191D, PHE294D, PHE294F, PRO252D, PRO252F, PRO255D, PRO259D, PRO290D, SER13F, SER192D, SER194D, SER249D, SER249F, SER299F, SER50D, SER68F, SER69F, SER72F, THR158D, THR164D, THR167D, THR20F, THR210D, THR264F, THR291D, THR298D, THR298F, TYR197D, TYR200D, TYR263D, TYR263F, TYR71F, VAL155D, VAL19F, VAL305F, VAL79F, VAL80F
• E-F: ALA196F, ALA199F, ALA251E, ALA251F, ALA256F, ALA301E, ALA302E, ALA303E, ALA309E, ALA64E, ALA70E, ALA73E, ARG156F, ARG170F, ARG17E, ARG189F, ARG215F, ARG295E, ARG295F, ARG300E, ARG8E, ASN157F, ASN193F, ASP160F, ASP16E, ASP18E, ASP212F, ASP247E, ASP247F, ASP265E, ASP289F, ASP293E, ASP293F, ASP296E, CYS254F, GLN195F, GLN248E, GLN248F, GLU159F, GLU190F, GLU198F, GLU266E, GLU269E, GLU287F, GLU74E, GLU77E, GLY161F, GLY162F, GLY166F, GLY253F, GLY258F, GLY260F, GLY261F, GLY312E, GLY76E, HIS152F, HIS153F, HIS250E, HIS250F, HIS304E, HIS308E, HIS51F, HIS67E, HIS78E, ILE188F, ILE208F, ILE257F, ILE49F, LEU246E, LEU267E, LEU268E, LEU292F, LEU306E, LEU307E, LEU310E, LEU65E, LEU75E, LYS15E, LYS202F, LYS21E, LYS272E, LYS311E, PHE14E, PHE191F, PHE294E, PHE294F, PRO252E, PRO252F, PRO255F, PRO259F, PRO290F, SER13E, SER192F, SER194F, SER249E, SER249F, SER299E, SER50F, SER68E, SER69E, SER72E, THR158F, THR164F, THR167F, THR20E, THR210F, THR264E, THR291F, THR298E, THR298F, TYR197F, TYR200F, TYR263E, TYR263F, TYR71E, VAL155F, VAL19E, VAL305E, VAL79E, VAL80E