3E05

crystal structure of precorrin-6y c5,15-methyltransferase from geobacter metallireducens gs-15

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 133
  • Norm. En. per Res.: -4.72
• Hub Node: A(5)

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	1.0152	-31.5186	-30.5034	42	1	0	1729	0	5	9
A-D	-191.8721	-60.3261	-375.561	-627.7592	133	22	16	16179	3	43	39
A-E	0.0	0.0	-38.9072	-38.9072	36	3	4	2430	0	6	10
A-G	-58.932	0.0	-184.092	-243.024	55	9	2	7025	0	13	10
A-H	0.0	2.4329	-0.2733	2.1596	8	0	0	79	0	5	11
B-C	-169.8128	-67.8538	-396.095	-633.7616	146	20	18	17399	4	44	39
B-E	0.0	0.0	-0.0546	-0.0546	3	0	0	15	0	1	2
B-F	0.0	0.0	-37.1991	-37.1991	35	1	4	2359	0	6	10
B-G	-7.2888	-42.4261	-113.263	-162.9779	59	4	2	4139	3	22	27
B-H	-66.5384	1.4134	-183.055	-248.18	57	10	2	7123	0	14	8
C-F	-63.2857	1.3893	-185.635	-247.5313	53	9	2	6777	0	12	9
C-G	0.0	0.0	-0.0809	-0.0809	3	0	0	17	0	2	2
C-H	0.0	5.188	-39.5141	-34.3261	36	3	4	2433	0	6	10
D-E	-61.0806	13.7148	-211.228	-258.5938	61	14	2	7699	1	13	11
D-G	0.0	2.4867	-43.4114	-40.9247	37	2	3	2415	0	5	9
E-G	-182.9703	-46.3777	-438.733	-668.081	149	29	17	18271	4	44	38
F-H	-181.172	-83.3328	-383.835	-648.3398	142	24	18	17125	4	44	35
G-H	0.0	1.8544	-41.5579	-39.7035	47	1	0	2014	0	5	9

Interface residues

• A-B: ALA227A, ALA227B, ALA305B, ALA307B, ARG280A, ARG280B, ASN281A, ASN281B, ASN393A, GLN283A, GLN283B, GLU279A, GLU304B, GLU309B, GLU331B, GLY286A, GLY326A, GLY326B, GLY327A, GLY327B, LEU230A, LEU285A, LEU285B, LEU329B, LYS228A, LYS228B, LYS229A, LYS229B, MET328A, MET328B, PHE287A, PHE306A, PHE306B, PRO282A, PRO282B, PRO308B, SER325A, SER325B, THR352A, TYR284A, TYR284B, VAL351A
• A-D: ALA238A, ALA238D, ALA266A, ALA266D, ALA373A, ALA373D, ALA378A, ALA378D, ARG237A, ARG237D, ARG245A, ARG245D, ARG319A, ARG319D, ASN268A, ASN268D, ASN376A, ASN376D, ASP220A, ASP220D, ASP221A, ASP221D, ASP248A, ASP248D, CYS374A, CYS374D, GLN213A, GLN234A, GLN234D, GLN247A, GLN247D, GLU235A, GLU235D, GLU265A, GLU265D, GLU343D, GLU364A, GLU364D, GLU371A, GLU371D, GLU385A, GLU385D, GLU390A, GLU390D, GLY218A, GLY218D, GLY382D, HIS392A, HIS392D, ILE217A, ILE217D, ILE219A, ILE219D, ILE397A, ILE397D, ILE398A, ILE398D, LEU241A, LEU241D, LEU244A, LEU244D, LEU246A, LEU246D, LEU250A, LEU250D, LEU269A, LEU269D, LEU353D, LEU356A, LEU356D, LEU383D, LYS233A, LYS243A, LYS243D, LYS379A, LYS379D, LYS381A, LYS381D, LYS387A, LYS387D, MET270A, MET270D, MET369A, MET369D, MET388D, PHE389A, PHE389D, PRO215A, PRO215D, PRO271A, PRO271D, PRO394A, PRO394D, SER242A, SER242D, SER391A, SER391D, SER403A, THR240A, THR240D, THR380A, THR380D, THR384D, THR399A, THR399D, TRP401A, TRP401D, TYR214A, TYR214D, TYR368A, TYR368D, TYR396A, TYR396D, VAL216A, VAL216D, VAL236A, VAL236D, VAL239A, VAL239D, VAL345A, VAL345D, VAL360A, VAL360D, VAL370A, VAL370D, VAL372A, VAL372D, VAL375A, VAL375D, VAL377A, VAL377D, VAL395A, VAL395D
• A-E: ALA359A, ALA359E, ASN376A, ASN376E, ASP354A, ASP354E, CYS374A, CYS374E, GLU361A, GLU361E, GLU364A, GLU364E, GLU371A, GLU371E, ILE398A, ILE398E, LEU353A, LEU353E, LEU356A, LEU356E, LYS358A, LYS358E, PRO394A, PRO394E, THR357A, THR357E, TYR396A, TYR396E, VAL360A, VAL360E, VAL370A, VAL370E, VAL372A, VAL372E, VAL375A, VAL375E
• A-G: ALA350A, ALA350G, ALA378A, ALA378G, ASN376A, ASN376G, ASN393A, ASN393G, ASP354A, ASP354G, CYS374A, CYS374G, GLU385A, GLU385G, GLU390A, GLU390G, HIS392A, HIS392G, LEU353A, LEU353G, LEU356A, LEU356G, LYS229A, LYS229G, LYS379A, LYS379G, LYS387A, LYS387G, MET388A, MET388G, PHE389A, PHE389G, PRO394A, PRO394G, SER391A, SER391G, THR352A, THR352G, THR355A, THR355G, THR357A, THR357G, THR380A, THR380G, THR384G, TYR386A, TYR386G, TYR396A, TYR396G, VAL351A, VAL351G, VAL377A, VAL377G, VAL395A, VAL395G
• A-H: ASP222A, GLU385H, LYS228A, LYS228H, MET388A, MET388H, TYR386A, TYR386H
• B-C: ALA212B, ALA212C, ALA238B, ALA238C, ALA266B, ALA266C, ALA373B, ALA373C, ALA378B, ALA378C, ALA400B, ALA400C, ARG237B, ARG237C, ARG245B, ARG245C, ARG319B, ARG319C, ASN268B, ASN268C, ASN376B, ASN376C, ASP220B, ASP220C, ASP221B, ASP221C, ASP248B, ASP248C, ASP249B, CYS374B, CYS374C, GLN213B, GLN213C, GLN234B, GLN234C, GLN247B, GLN247C, GLU235B, GLU235C, GLU265B, GLU265C, GLU343B, GLU343C, GLU361C, GLU364B, GLU364C, GLU371B, GLU371C, GLU385B, GLU385C, GLU390B, GLU390C, GLY218B, GLY218C, GLY367C, GLY382B, GLY382C, HIS392B, HIS392C, ILE217B, ILE217C, ILE219B, ILE219C, ILE397B, ILE397C, ILE398B, ILE398C, LEU241B, LEU241C, LEU244B, LEU244C, LEU246B, LEU246C, LEU250B, LEU250C, LEU269B, LEU269C, LEU353B, LEU353C, LEU356B, LEU356C, LEU383B, LYS233B, LYS233C, LYS243B, LYS243C, LYS379B, LYS379C, LYS381B, LYS381C, LYS387B, LYS387C, MET270B, MET270C, MET369B, MET369C, MET388B, MET388C, PHE389B, PHE389C, PRO215B, PRO215C, PRO271B, PRO271C, PRO394B, PRO394C, SER242B, SER242C, SER391B, SER391C, THR240B, THR240C, THR380B, THR380C, THR384B, THR384C, THR399B, THR399C, TRP401B, TRP401C, TYR214B, TYR214C, TYR368B, TYR368C, TYR396B, TYR396C, VAL216B, VAL216C, VAL236B, VAL236C, VAL239B, VAL239C, VAL345B, VAL345C, VAL360B, VAL360C, VAL370B, VAL370C, VAL372B, VAL372C, VAL375B, VAL375C, VAL377B, VAL377C, VAL395B, VAL395C
• B-E: ASP290B, LYS293B, MET369E
• B-F: ALA359B, ALA359F, ASN376B, ASN376F, ASP354B, ASP354F, CYS374B, CYS374F, GLU361B, GLU361F, GLU364B, GLU364F, GLU371B, GLU371F, ILE398B, ILE398F, LEU353B, LEU353F, LEU356B, LEU356F, LYS358B, LYS358F, PRO394B, PRO394F, THR357B, THR357F, TYR396B, TYR396F, VAL360B, VAL360F, VAL370B, VAL370F, VAL372B, VAL372F, VAL375B
• B-G: ALA225B, ALA225G, ALA227B, ALA227G, ARG289B, ARG289G, ASN281B, ASN281G, ASN291B, ASN291G, ASP222B, ASP222G, ASP290B, ASP290G, GLN283B, GLN283G, GLU223G, GLU304G, GLU385B, GLU385G, GLU390B, GLU390G, GLY286B, GLY286G, GLY382B, GLY382G, ILE288B, ILE288G, LEU285B, LEU285G, LEU302G, LEU383B, LEU383G, LYS228B, LYS228G, LYS229B, LYS229G, LYS293B, LYS293G, LYS294G, LYS381B, LYS381G, LYS387B, LYS387G, MET388B, MET388G, PHE224G, PHE287B, PHE287G, PRO282B, PRO282G, THR226B, THR226G, THR384B, THR384G, TYR284B, TYR284G, TYR386B, TYR386G
• B-H: ALA350B, ALA350H, ALA378B, ALA378H, ASN376B, ASN376H, ASN393B, ASN393H, ASP354B, ASP354H, CYS374B, CYS374H, GLU385B, GLU385H, GLU390B, GLU390H, HIS392B, HIS392H, LEU353B, LEU353H, LEU356B, LEU356H, LYS229B, LYS229H, LYS379B, LYS379H, LYS387B, LYS387H, MET388B, MET388H, PHE389B, PHE389H, PRO394B, PRO394H, SER391B, SER391H, THR352B, THR352H, THR355B, THR355H, THR357B, THR357H, THR380B, THR380H, THR384B, TYR386B, TYR386H, TYR396B, TYR396H, VAL351B, VAL351H, VAL375B, VAL375H, VAL377B, VAL377H, VAL395B, VAL395H
• C-F: ALA350C, ALA350F, ALA378C, ALA378F, ASN376C, ASN376F, ASN393C, ASN393F, ASP354C, ASP354F, CYS374C, CYS374F, GLU385C, GLU390C, GLU390F, HIS392C, HIS392F, LEU353C, LEU353F, LEU356C, LEU356F, LYS229C, LYS229F, LYS379C, LYS379F, LYS381F, LYS387C, LYS387F, MET388C, MET388F, PHE389C, PHE389F, PRO394C, PRO394F, SER391C, SER391F, THR352C, THR352F, THR355C, THR355F, THR357C, THR357F, THR380C, THR380F, TYR386C, TYR396C, TYR396F, VAL351C, VAL351F, VAL377C, VAL377F, VAL395C, VAL395F
• C-G: ASP290G, LYS293G, MET369C
• C-H: ALA359C, ALA359H, ASN376C, ASN376H, ASP354C, ASP354H, CYS374C, CYS374H, GLU361C, GLU361H, GLU364C, GLU364H, GLU371C, GLU371H, ILE398C, ILE398H, LEU353C, LEU353H, LEU356C, LEU356H, LYS358C, LYS358H, PRO394C, PRO394H, THR357C, THR357H, TYR396C, TYR396H, VAL360C, VAL360H, VAL370C, VAL370H, VAL372C, VAL372H, VAL375C, VAL375H
• D-E: ALA350D, ALA350E, ALA378D, ALA378E, ASN376D, ASN376E, ASN393D, ASN393E, ASP354D, ASP354E, CYS374D, CYS374E, GLU385D, GLU385E, GLU390D, GLU390E, HIS392D, HIS392E, LEU230D, LEU353D, LEU353E, LEU356D, LEU356E, LEU383E, LYS229D, LYS229E, LYS233D, LYS358D, LYS379D, LYS379E, LYS387D, LYS387E, MET388D, MET388E, PHE389D, PHE389E, PRO394D, PRO394E, SER391D, SER391E, THR352D, THR352E, THR355D, THR355E, THR357D, THR380D, THR380E, THR384D, THR384E, TYR386D, TYR386E, TYR396D, TYR396E, VAL351D, VAL351E, VAL375D, VAL375E, VAL377D, VAL377E, VAL395D, VAL395E
• D-G: ALA359D, ALA359G, ASN376D, ASN376G, ASP354D, ASP354G, CYS374D, CYS374G, GLU361D, GLU361G, GLU364D, GLU364G, ILE398D, ILE398G, LEU353D, LEU353G, LEU356D, LEU356G, LYS358D, LYS358G, PRO394D, PRO394G, THR352D, THR355D, THR355G, THR357D, THR357G, TYR396D, TYR396G, VAL360D, VAL360G, VAL370D, VAL370G, VAL372D, VAL372G, VAL375D, VAL375G
• E-G: ALA238E, ALA238G, ALA266E, ALA266G, ALA373E, ALA373G, ALA378E, ALA378G, ALA400E, ALA400G, ARG237E, ARG237G, ARG245E, ARG245G, ARG319E, ARG319G, ASN268E, ASN268G, ASN376E, ASN376G, ASP220E, ASP220G, ASP221E, ASP221G, ASP248E, ASP248G, ASP365E, ASP365G, CYS374E, CYS374G, GLN213E, GLN234E, GLN234G, GLN247E, GLN247G, GLU235E, GLU235G, GLU265E, GLU265G, GLU343G, GLU361G, GLU364E, GLU364G, GLU371E, GLU371G, GLU385E, GLU385G, GLU390E, GLU390G, GLY218E, GLY218G, GLY367E, GLY382E, GLY382G, HIS392E, HIS392G, ILE217E, ILE217G, ILE219E, ILE219G, ILE397E, ILE397G, ILE398E, ILE398G, LEU241E, LEU241G, LEU244E, LEU244G, LEU246E, LEU246G, LEU250E, LEU250G, LEU269E, LEU269G, LEU353E, LEU353G, LEU356E, LEU356G, LEU363E, LEU363G, LEU383E, LEU383G, LYS233E, LYS233G, LYS243E, LYS243G, LYS379E, LYS379G, LYS381E, LYS381G, LYS387E, LYS387G, MET270E, MET270G, MET369E, MET369G, MET388G, PHE362G, PHE389E, PHE389G, PRO215E, PRO215G, PRO271E, PRO271G, PRO394E, PRO394G, SER242E, SER242G, SER391E, SER391G, SER403E, THR240E, THR240G, THR357G, THR380E, THR380G, THR384E, THR384G, THR399E, THR399G, TRP401E, TRP401G, TYR214E, TYR214G, TYR368E, TYR368G, TYR386E, TYR396E, TYR396G, VAL216E, VAL216G, VAL236E, VAL236G, VAL239E, VAL239G, VAL345E, VAL345G, VAL360E, VAL360G, VAL370E, VAL370G, VAL372E, VAL372G, VAL375E, VAL375G, VAL377E, VAL377G, VAL395E, VAL395G
• F-H: ALA212H, ALA238F, ALA238H, ALA266F, ALA266H, ALA373F, ALA373H, ALA378F, ALA378H, ALA400F, ARG237F, ARG237H, ARG245F, ARG245H, ARG319F, ARG319H, ASN268F, ASN268H, ASN376F, ASN376H, ASP220F, ASP220H, ASP221F, ASP221H, ASP248F, ASP248H, ASP249F, CYS374F, CYS374H, GLN213F, GLN213H, GLN234F, GLN234H, GLN247F, GLN247H, GLU235F, GLU235H, GLU265F, GLU265H, GLU343F, GLU343H, GLU361F, GLU361H, GLU364F, GLU364H, GLU371F, GLU371H, GLU385H, GLU390F, GLU390H, GLY218F, GLY218H, GLY382F, GLY382H, HIS392F, HIS392H, ILE217F, ILE217H, ILE219F, ILE219H, ILE397F, ILE397H, ILE398F, ILE398H, LEU211H, LEU241F, LEU241H, LEU244F, LEU244H, LEU246F, LEU246H, LEU250F, LEU250H, LEU269F, LEU269H, LEU353F, LEU353H, LEU356F, LEU356H, LEU363F, LEU363H, LYS233F, LYS233H, LYS243F, LYS243H, LYS379F, LYS379H, LYS381F, LYS381H, LYS387F, LYS387H, MET270F, MET270H, MET369F, MET369H, MET388F, MET388H, PHE389F, PHE389H, PRO215F, PRO215H, PRO271F, PRO271H, PRO394H, SER242F, SER242H, SER391F, SER391H, THR240F, THR240H, THR380F, THR380H, THR399F, THR399H, TRP401F, TRP401H, TYR214F, TYR214H, TYR368F, TYR368H, TYR396F, TYR396H, VAL216F, VAL216H, VAL236F, VAL236H, VAL239F, VAL239H, VAL345F, VAL345H, VAL360F, VAL360H, VAL370F, VAL370H, VAL372F, VAL372H, VAL375F, VAL375H, VAL377F, VAL377H, VAL395F, VAL395H
• G-H: ALA227G, ALA227H, ALA305G, ALA307G, ARG280G, ARG280H, ARG289H, ASN281G, ASN281H, ASN393H, GLN283G, GLN283H, GLU279H, GLU304G, GLU304H, GLU309G, GLU331G, GLY286H, GLY324H, GLY326G, GLY326H, GLY327G, GLY327H, ILE332G, LEU230H, LEU285G, LEU285H, LEU329G, LYS228G, LYS228H, LYS229G, LYS229H, MET328G, MET328H, PHE287G, PHE287H, PHE306G, PHE306H, PRO282G, PRO282H, PRO308G, SER325G, SER325H, THR352H, TYR284G, TYR284H, VAL351H